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Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified
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ID: 301
5-[(2R)-pentan-2-yl]-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Data
M. F.
C12H18N2O3
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00418
PubChem
31143
M. W.
238.28292
CAS
76-73-3
Similarity
N/A
ID: 302
(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
$$$$
Data
M. F.
C10H21NO4
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
B8299
Database
Data ID
DrugBank
DB00419
PubChem
51634
M. W.
219.27804
CAS
72599-27-0
Similarity
N/A
ID: 303
dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine
Data
M. F.
C17H20N2S
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00420
Wikipedia
Promazine
PubChem
4926
M. W.
284.4191
CAS
58-40-2
Similarity
N/A
ID: 304
(1'S,2R,2'R,9'R,10'R,11'S,15'S)-9'-(acetylsulfanyl)-2',15'-dimethylspiro[oxolane...
$$$$
Data
More
M. F.
C24H32O4S
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
S3378
MP Biomedicals
02190059
TRC
S683000
Database
Data ID
DrugBank
DB00421
Wikipedia
Spironolactone
PubChem
5833
M. W.
416.57348
CAS
52-01-7
Similarity
N/A
ID: 305
methyl 2-phenyl-2-(piperidin-2-yl)acetate
Data
M. F.
C14H19NO2
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00422
Wikipedia
Methylphenidate
PubChem
4158
M. W.
233.30616
CAS
113-45-1
Similarity
N/A
ID: 306
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
$$$$
Data
More
M. F.
C11H15NO5
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1736
Sigma Aldrich
G7012
TRC
M225950
Database
Data ID
DrugBank
DB00423
Wikipedia
Methocarbamol
PubChem
4107
M. W.
241.2405
CAS
532-03-6
Similarity
N/A
ID: 307
8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
$$$$
Data
M. F.
C17H23NO3
Custom Synthesis Information
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Catalog Number
MP Biomedicals
02151316
Database
Data ID
DrugBank
DB00424
PubChem
64692
M. W.
289.36942
CAS
101-31-5
Similarity
N/A
ID: 308
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
$$$$
Data
M. F.
C19H21N3O
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
Z103
TRC
Z650000
A&J Pharmtech
AJA-O39411
Database
Data ID
DrugBank
DB00425
Wikipedia
Zolpidem
PubChem
5732
M. W.
307.38954
CAS
82626-48-0
Similarity
N/A
ID: 309
2-[(acetyloxy)methyl]-4-(2-amino-9H-purin-9-yl)butyl acetate
$$$$
Data
More
M. F.
C14H19N5O4
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S2467
Sigma Aldrich
F7932
TRC
F101125
Database
Data ID
DrugBank
DB00426
PubChem
3324
M. W.
321.33176
CAS
104227-87-4
Similarity
N/A
ID: 310
2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine
Data
M. F.
C19H22N2
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00427
PubChem
5282443
M. W.
278.39138
CAS
486-12-4
Similarity
N/A
ID: 311
3-methyl-3-nitroso-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-...
$$$$
Data
M. F.
C8H15N3O7
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1312
Sigma Aldrich
S0130
85882
Database
Data ID
DrugBank
DB00428
PubChem
29327
M. W.
265.2206
CAS
18883-66-4
Similarity
N/A
ID: 312
(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-en-1-yl]c...
Data
M. F.
C21H36O5
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00429
PubChem
5284525
M. W.
368.50754
CAS
58551-69-2
Similarity
N/A
ID: 313
(6R)-7-[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1,4-dihydropyridin-3-yl)form...
Data
M. F.
C25H24N8O7S2
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00430
PubChem
107654
M. W.
612.63746
CAS
70797-11-4
Similarity
N/A
ID: 314
1,2,3,4,5,6-hexachlorocyclohexane
$$$$
Data
M. F.
C6H6Cl6
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
36756
49007
MP Biomedicals
05204985
Database
Data ID
DrugBank
DB00431
PubChem
727
M. W.
290.82984
CAS
58-89-9
Similarity
N/A
ID: 315
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,2,3,...
$$$$
Data
More
M. F.
C10H11F3N2O5
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1778
Sigma Aldrich
T2255
Matrix Scientific
072538
Database
Data ID
DrugBank
DB00432
PubChem
6256
M. W.
296.1999496
CAS
70-00-8
Similarity
N/A
ID: 316
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
$$$$
Data
M. F.
C20H24ClN3S
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
P7152
MP Biomedicals
02153565
TRC
P755800
P755805
Database
Data ID
DrugBank
DB00433
Wikipedia
Prochlorperazine
PubChem
4917
M. W.
373.94266
CAS
84-02-6
Similarity
N/A
ID: 317
1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl...
Data
M. F.
C21H21N
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00434
Wikipedia
Cyproheptadine
PubChem
2913
M. W.
287.39814
CAS
129-03-3
Similarity
N/A
ID: 318
nitroso
$$$$
Data
M. F.
NO
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
295566
Database
Data ID
DrugBank
DB00435
Wikipedia
Nitric_oxide
PubChem
145068
M. W.
30.0061
CAS
10102-43-9
Similarity
N/A
ID: 319
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazi...
$$$$
Data
M. F.
C15H14F3N3O4S2
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S4387
Sigma Aldrich
B5775
TRC
B133500
Database
Data ID
DrugBank
DB00436
Wikipedia
Bendroflumethiazide
PubChem
2315
M. W.
421.4145696
CAS
73-48-3
Similarity
N/A
ID: 320
1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
$$$$
Data
M. F.
C5H4N4O
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1630
Bide Pharmatech
BD33176
Database
Data ID
DrugBank
DB00437
PubChem
2094
M. W.
136.11146
CAS
315-30-0
Similarity
N/A
ID: 321
1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)im...
$$$$
Data
M. F.
C22H22N6O7S2
Custom Synthesis Information
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Catalog Number
TRC
C244100
Database
Data ID
DrugBank
DB00438
PubChem
5481173
M. W.
546.57608
CAS
78439-06-2
Similarity
N/A
ID: 322
(3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridin-3...
Data
M. F.
C26H34FNO5
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00439
Wikipedia
Cerivastatin
PubChem
446156
M. W.
459.5502632
CAS
145599-86-6
Similarity
N/A
ID: 323
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
$$$$
Data
More
M. F.
C14H18N4O3
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S3129
Sigma Aldrich
T7883
92131
46984
(more...)
MP Biomedicals
02195527
Database
Data ID
DrugBank
DB00440
Wikipedia
Trimethoprim
PubChem
5578
M. W.
290.31772
CAS
738-70-5
Similarity
N/A
ID: 324
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-d...
$$$$
Data
M. F.
C9H11F2N3O4
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1714
Matrix Scientific
072139
Bide Pharmatech
BD131926
Database
Data ID
DrugBank
DB00441
PubChem
60750
M. W.
263.1981464
CAS
95058-81-4
Similarity
N/A
ID: 325
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-...
Data
M. F.
C12H15N5O3
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00442
PubChem
153941
M. W.
277.2792
CAS
142217-69-4
Similarity
N/A
ID: 326
(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,...
$$$$
Data
More
M. F.
C22H29FO5
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1500
Sigma Aldrich
B7005
285250
18081
(more...)
MP Biomedicals
02154853
Database
Data ID
DrugBank
DB00443
Wikipedia
Betamethasone
PubChem
9782
M. W.
392.4610632
CAS
378-44-9
Similarity
N/A
ID: 327
(10R,11R,15R,16S)-16-{[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(thiophen-2-yl)-hexahy...
Data
M. F.
C32H32O13S
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00444
PubChem
34698
M. W.
656.65368
CAS
29767-20-2
Similarity
N/A
ID: 328
(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trih...
Data
M. F.
C27H29NO11
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00445
PubChem
41867
M. W.
543.51926
CAS
56420-45-2
Similarity
N/A
ID: 329
2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
$$$$
Data
M. F.
C11H12Cl2N2O5
Custom Synthesis Information
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Catalog Number
Alfa Aesar
B20841
Enamine
EN300-50870
Database
Data ID
DrugBank
DB00446
PubChem
298
M. W.
323.12938
CAS
56-75-7
Similarity
N/A
ID: 330
7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2...
Data
M. F.
C16H18ClN3O5
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00447
PubChem
60746
M. W.
367.78422
CAS
76470-66-1
Similarity
N/A
ID: 331
2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzo...
$$$$
Data
More
M. F.
C16H14F3N3O2S
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1354
Sigma Aldrich
L8533
InterBioScreen
BB_SC-4646
Bio-0824
Database
Data ID
DrugBank
DB00448
PubChem
3883
M. W.
369.3614696
CAS
103577-45-3
Similarity
N/A
ID: 332
2-[(2,2-dimethylpropanoyl)oxy]-5-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dime...
Data
M. F.
C19H29NO5
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00449
PubChem
3105
M. W.
351.43726
CAS
52365-63-6
Similarity
N/A
ID: 333
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro...
$$$$
Data
M. F.
C22H22FN3O2
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S4096
Sigma Aldrich
D1414
A&J Pharmtech
AJA-O10862
Database
Data ID
DrugBank
DB00450
Wikipedia
Droperidol
PubChem
3168
M. W.
379.4273832
CAS
548-73-2
Similarity
N/A
ID: 334
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
$$$$
Data
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M. F.
C15H11I4NO4
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S2599
Sigma Aldrich
T2376
T1775
IRMM468
(more...)
MP Biomedicals
02152145
Database
Data ID
DrugBank
DB00451
PubChem
5819
M. W.
776.87002
CAS
51-48-9
Similarity
N/A
ID: 335
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2...
$$$$
Data
M. F.
C23H46N6O13
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
N1142
72131
Database
Data ID
DrugBank
DB00994
DB00452
PubChem
8378
M. W.
614.64374
CAS
119-04-0
Similarity
N/A
ID: 336
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hy...
Data
M. F.
C23H25ClN2O9
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00453
PubChem
54680675
M. W.
508.9056
CAS
1181-54-0
Similarity
N/A
ID: 337
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
$$$$
Data
M. F.
C15H21NO2
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
610593
Database
Data ID
DrugBank
DB00454
PubChem
4058
M. W.
247.33274
CAS
57-42-1
Similarity
N/A
ID: 338
ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0
3
,
8
]pentadeca-1(15...
$$$$
Data
More
M. F.
C22H23ClN2O2
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1358
Sigma Aldrich
L9664
InterBioScreen
BB_SC-2109
Bio-0059
Database
Data ID
DrugBank
DB00455
PubChem
3957
M. W.
382.88322
CAS
79794-75-5
Similarity
N/A
ID: 339
(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azab...
$$$$
Data
More
M. F.
C16H16N2O6S2
Custom Synthesis Information
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Suppliers
Catalog Number
Matrix Scientific
076118
InterBioScreen
Bio-0631
Bide Pharmatech
BD160111
Database
Data ID
DrugBank
DB00456
PubChem
6024
M. W.
396.43804
CAS
153-61-7
Similarity
N/A
ID: 340
2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
$$$$
Data
M. F.
C19H21N5O4
Custom Synthesis Information
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Catalog Number
MP Biomedicals
02153782
Database
Data ID
DrugBank
DB00457
PubChem
4893
M. W.
383.40114
CAS
19237-84-4
Similarity
N/A
ID: 341
(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propy...
Data
M. F.
C19H24N2
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00458
Wikipedia
Imipramine
PubChem
3696
M. W.
280.40726
CAS
50-49-7
Similarity
N/A
ID: 342
(2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetra...
$$$$
Data
M. F.
C21H26O3
Custom Synthesis Information
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Catalog Number
TRC
A189925
Database
Data ID
DrugBank
DB00459
PubChem
6437841
M. W.
326.42934
CAS
69427-46-9
Similarity
N/A
ID: 343
3-[(23S,24R)-14-ethenyl-5-(3-methoxy-3-oxopropyl)-22,23-bis(methoxycarbonyl)-4,1...
Data
M. F.
C41H42N4O8
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00460
PubChem
5362420
M. W.
718.79418
CAS
129497-78-5
Similarity
N/A
ID: 344
4-(6-methoxynaphthalen-2-yl)butan-2-one
$$$$
Data
M. F.
C15H16O2
Custom Synthesis Information
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Suppliers
Catalog Number
Selleck Chemicals
S4051
Sigma Aldrich
N6142
MP Biomedicals
02199135
Database
Data ID
DrugBank
DB00461
PubChem
4409
M. W.
228.28634
CAS
42924-53-8
Similarity
N/A
ID: 345
(1S,5S,7R)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatri...
Data
M. F.
C18H24BrNO4
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00462
PubChem
23724781
M. W.
398.29146
CAS
155-41-9
Similarity
N/A
ID: 346
5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
Data
M. F.
C9H14N2O3
Custom Synthesis Information
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Catalog Number