Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H6FNO4S

Suppliers	Catalog Number
Enamine	EN300-97835

Database	Data ID
PubChem	11252958

M. W.

219.1902432

CAS

Similarity

N/A

ID: 285852

2-bromo-4-(chlorosulfonyl)benzoic acid

$$$$ Data

M. F.

C7H4BrClO4S

Suppliers	Catalog Number
Enamine	EN300-97836

Database	Data ID
PubChem	73994770

M. W.

299.52626

CAS

Similarity

N/A

ID: 285853

methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C9H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-97840
Bide Pharmatech	BD229471

Database	Data ID
PubChem	1488168

M. W.

214.28466

CAS

478258-61-6

Similarity

N/A

ID: 285854

4-(3,4-dimethylphenoxy)butanoic acid

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Enamine	EN300-97841

Database	Data ID
PubChem	15619674

M. W.

208.25364

CAS

Similarity

N/A

ID: 285855

3-phenylbutan-2-amine

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Enamine	EN300-97843

Database	Data ID
PubChem	210912

M. W.

149.2328

CAS

Similarity

N/A

ID: 285856

methyl 2-(1-aminocyclohexyl)acetate

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Enamine	EN300-97844
A&J Pharmtech	AJA-O17315

Database	Data ID
PubChem	10749699

M. W.

171.23678

CAS

178242-64-3

Similarity

N/A

ID: 285857

4,5-dimethylpyrrolidin-2-one

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-97845

Database	Data ID
PubChem	14435951

M. W.

113.15764

CAS

Similarity

N/A

ID: 285858

1-cyclohexylpiperidin-4-amine

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
Enamine	EN300-97846

Database	Data ID
PubChem	4778239

M. W.

182.30578

CAS

Similarity

N/A

ID: 285859

benzyl(4-bromobutyl)(propan-2-yl)amine

$$$$ Data

M. F.

C14H22BrN

Suppliers	Catalog Number
Enamine	EN300-97851

Database	Data ID
PubChem	61289330

M. W.

284.23518

CAS

Similarity

N/A

ID: 285860

2,5-dimethylcyclopentan-1-amine hydrochloride

$$$$ Data

M. F.

C7H16ClN

Suppliers	Catalog Number
Enamine	EN300-97853

Database	Data ID
PubChem	72135073

M. W.

149.66164

CAS

Similarity

N/A

ID: 285861

1-(3-bromo-2-fluorophenyl)propan-2-ol

$$$$ Data

M. F.

C9H10BrFO

Suppliers	Catalog Number
Enamine	EN300-97859

Database	Data ID
PubChem	73994771

M. W.

233.0775032

CAS

Similarity

N/A

ID: 285862

1-(2-bromo-6-fluorophenyl)propan-2-ol

$$$$ Data

M. F.

C9H10BrFO

Suppliers	Catalog Number
Enamine	EN300-97860

Database	Data ID
PubChem	73994772

M. W.

233.0775032

CAS

Similarity

N/A

ID: 285863

N-[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydroxylamine

$$$$ Data

M. F.

C13H15N3O

Suppliers	Catalog Number
Enamine	EN300-97865

Database	Data ID
PubChem	73994773

M. W.

229.2777

CAS

Similarity

N/A

ID: 285864

2-(4-formylpiperazin-1-yl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H12N4O

Suppliers	Catalog Number
Enamine	EN300-97867

Database	Data ID
PubChem	71683761

M. W.

216.23918

CAS

Similarity

N/A

ID: 285865

tert-butyl 3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C15H22N2O2

Suppliers	Catalog Number
Enamine	EN300-97873

Database	Data ID
PubChem	72553513

M. W.

262.34738

CAS

Similarity

N/A

ID: 285866

tert-butyl 7,8-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carb...

$$$$ Data

M. F.

C15H20F2N2O2

Suppliers	Catalog Number
Enamine	EN300-97874

Database	Data ID
PubChem	73994774

M. W.

298.3283064

CAS

Similarity

N/A

ID: 285867

tert-butyl 7,8-difluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C14H18F2N2O2

Suppliers	Catalog Number
Enamine	EN300-97875

Database	Data ID
PubChem	73994775

M. W.

284.3017264

CAS

Similarity

N/A

ID: 285868

tert-butyl 8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxyl...

$$$$ Data

M. F.

C15H21FN2O2

Suppliers	Catalog Number
Enamine	EN300-97876

Database	Data ID
PubChem	73994776

M. W.

280.3378432

CAS

Similarity

N/A

ID: 285869

tert-butyl 8-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C14H19FN2O2

Suppliers	Catalog Number
Enamine	EN300-97877

Database	Data ID
PubChem	25417641

M. W.

266.3112632

CAS

Similarity

N/A

ID: 285870

tert-butyl 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C15H22N2O2

Suppliers	Catalog Number
Enamine	EN300-97878

Database	Data ID
PubChem	25417648

M. W.

262.34738

CAS

Similarity

N/A

ID: 285871

tert-butyl 3,7-dimethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C16H24N2O2

Suppliers	Catalog Number
Enamine	EN300-97879

Database	Data ID
PubChem	73994777

M. W.

276.37396

CAS

Similarity

N/A

ID: 285872

tert-butyl 3,6-dimethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C16H24N2O2

Suppliers	Catalog Number
Enamine	EN300-97880

Database	Data ID
PubChem	73994778

M. W.

276.37396

CAS

Similarity

N/A

ID: 285873

tert-butyl 6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

$$$$ Data

M. F.

C15H22N2O2

Suppliers	Catalog Number
Enamine	EN300-97881

Database	Data ID
PubChem	73994779

M. W.

262.34738

CAS

Similarity

N/A

ID: 285874

methyl 2-(4-aminopiperidin-1-yl)pyridine-4-carboxylate hydrochloride

$$$$ Data

M. F.

C12H18ClN3O2

Suppliers	Catalog Number
Enamine	EN300-97886

Database	Data ID
PubChem	72119435

M. W.

271.74322

CAS

Similarity

N/A

ID: 285875

2-(1,3-benzoxazol-2-yl)propan-1-amine

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Enamine	EN300-97891

Database	Data ID
PubChem	62676959

M. W.

176.21508

CAS

Similarity

N/A

ID: 285876

3-fluoro-4-(pyridin-2-ylmethoxy)aniline

$$$$ Data

M. F.

C12H11FN2O

Suppliers	Catalog Number
Enamine	EN300-97894

Database	Data ID
PubChem	22022163

M. W.

218.2269432

CAS

Similarity

N/A

ID: 285877

methyl 5-formyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H7NO3

Suppliers	Catalog Number
Enamine	EN300-97896
A&J Pharmtech	AJA-O20921

Database	Data ID
PubChem	316531

M. W.

153.13538

CAS

1197-13-3

Similarity

N/A

ID: 285878

5-bromo-2-methyl-3-sulfamoylbenzoic acid

$$$$ Data

M. F.

C8H8BrNO4S

Suppliers	Catalog Number
Enamine	EN300-97899

Database	Data ID
PubChem	65311863

M. W.

294.12242

CAS

Similarity

N/A

ID: 285879

2-(3-aminophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H19N3O

Suppliers	Catalog Number
Enamine	EN300-97901

Database	Data ID
PubChem	28689685

M. W.

233.30946

CAS

Similarity

N/A

ID: 285880

4-chloro-2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazoline

$$$$ Data

M. F.

C14H12Cl2N2

Suppliers	Catalog Number
Enamine	EN300-97902

Database	Data ID
PubChem	22143435

M. W.

279.16448

CAS

Similarity

N/A

ID: 285881

2-[1-(methanesulfonylmethyl)cyclopropyl]acetic acid

$$$$ Data

M. F.

C7H12O4S

Suppliers	Catalog Number
Enamine	EN300-97904

Database	Data ID
PubChem	65441544

M. W.

192.23278

CAS

Similarity

N/A

ID: 285882

ethyl 7-chloro-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate

$$$$ Data

M. F.

C8H7ClN4O2

Suppliers	Catalog Number
Enamine	EN300-97905

Database	Data ID
PubChem	73994780

M. W.

226.61978

CAS

Similarity

N/A

ID: 285883

3,5-dimethyl-1,3,4,7-tetraazatricyclo[7.4.0.0²,⁶]trideca-2...

$$$$ Data

M. F.

C11H16N4O

Suppliers	Catalog Number
Enamine	EN300-97907

Database	Data ID
PubChem	73994781

M. W.

220.27094

CAS

Similarity

N/A

ID: 285884

2-(4-fluorophenyl)ethene-1-sulfonyl chloride

$$$$ Data

M. F.

C8H6ClFO2S

Suppliers	Catalog Number
Enamine	EN300-97908

Database	Data ID
PubChem	12114475

M. W.

220.6484432

CAS

Similarity

N/A

ID: 285885

3-methoxy-6-methylpyridin-2-amine

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-97912

Database	Data ID
PubChem	16740382

M. W.

138.1671

CAS

Similarity

N/A

ID: 285886

2-(3-aminophenoxy)benzamide

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
Enamine	EN300-97913

Database	Data ID
PubChem	54908638

M. W.

228.24658

CAS

Similarity

N/A

ID: 285887

3,5-dimethyl-1,3,4,7-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(...

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-97916

Database	Data ID
PubChem	73994782

M. W.

192.26084

CAS

Similarity

N/A

ID: 285888

3,5-dimethyl-1,3,4,7-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(...

$$$$ Data

M. F.

C10H14N4O

Suppliers	Catalog Number
Enamine	EN300-97919

Database	Data ID
PubChem	73994783

M. W.

206.24436

CAS

Similarity

N/A

ID: 285889

3-chloro-2-methanesulfinylaniline

$$$$ Data

M. F.

C7H8ClNOS

Suppliers	Catalog Number
Enamine	EN300-97920

Database	Data ID
PubChem	71874472

M. W.

189.66252

CAS

Similarity

N/A

ID: 285890

methyl N-(4-hydroxycyclohexyl)carbamate

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-97921

Database	Data ID
PubChem	43394057

M. W.

173.2096

CAS

Similarity

N/A

ID: 285891

4-[4-(1-aminoethyl)-5-methyl-1H-pyrazol-1-yl]benzonitrile

$$$$ Data

M. F.

C13H14N4

Suppliers	Catalog Number
Enamine	EN300-97924

Database	Data ID
PubChem	43259447

M. W.

226.27706

CAS

Similarity

N/A

ID: 285892

4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Enamine	EN300-97926

Database	Data ID
PubChem	22598422

M. W.

164.20438

CAS

Similarity

N/A

ID: 285893

(2S)-1-methylpiperidine-2-carboxylic acid

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
Enamine	EN300-97927

Database	Data ID
PubChem	6993266

M. W.

143.18362

CAS

Similarity

N/A

ID: 285894

1-(2,4-dichlorophenyl)-2-methylpropan-2-amine

$$$$ Data

M. F.

C10H13Cl2N

Suppliers	Catalog Number
Enamine	EN300-97930

Database	Data ID
PubChem	62622010

M. W.

218.12292

CAS

Similarity

N/A

ID: 285895

[(2-chloropyridin-4-yl)methyl](2-methoxyethyl)methylamine

$$$$ Data

M. F.

C10H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-97931

Database	Data ID
PubChem	62305468

M. W.

214.6919

CAS

Similarity

N/A

ID: 285896

2-{2-[(3-fluorophenyl)amino]ethyl}-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C11H15FN2O2S

Suppliers	Catalog Number
Enamine	EN300-97932

Database	Data ID
PubChem	62566185

M. W.

258.3124032

CAS

Similarity

N/A

ID: 285897

1-methyl-1H-pyrazole-4-carboximidamide hydrochloride

$$$$ Data

M. F.

C5H9ClN4

Suppliers	Catalog Number
Enamine	EN300-97934

Database	Data ID
PubChem	71695528

M. W.

160.60476

CAS

Similarity

N/A

ID: 285898

6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane hydrochloride

$$$$ Data

M. F.

C6H9ClF3N

Suppliers	Catalog Number
Enamine	EN300-97937

Database	Data ID
PubChem	71656093

M. W.

187.5905696

CAS

Similarity

N/A

ID: 285899

(3R,4S)-pyrrolidine-3,4-diol hydrochloride

$$$$ Data

M. F.

C4H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-97938

Database	Data ID
PubChem	21970171

M. W.

139.5807

CAS

Similarity

N/A

ID: 285900

2-phenyl-4H,5H,6H,7H-furo[2,3-c]pyridine hydrochloride

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Enamine	EN300-97939

Database	Data ID
PubChem	13565246

M. W.

235.70936

CAS

Similarity

N/A

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