Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H5NO2

Suppliers	Catalog Number
Bide Pharmatech	BD10392

Database	Data ID
PubChem	3017520

M. W.

135.1201

CAS

64419-24-5

Similarity

N/A

ID: 294752

(3R,5S)-1-benzyl-3,5-dimethylpiperidin-4-one

$$$$ Data

M. F.

C14H19NO

Suppliers	Catalog Number
Bide Pharmatech	BD228534

Database	Data ID
PubChem	59130974

M. W.

217.30676

CAS

324769-03-1

Similarity

N/A

ID: 294753

1-(2-fluoroethyl)piperazine hydrochloride

$$$$ Data

M. F.

C6H14ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD228789

Database	Data ID
PubChem	22281452

M. W.

168.6401632

CAS

184042-60-2

Similarity

N/A

ID: 294754

(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD233529

Database	Data ID
PubChem	1550070

M. W.

201.22124

CAS

93634-54-9

Similarity

N/A

ID: 294755

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-enoic acid

$$$$ Data

M. F.

C21H21NO4

Suppliers	Catalog Number
Bide Pharmatech	BD234528

Database	Data ID
PubChem	11537618

M. W.

351.39574

CAS

851909-08-5

Similarity

N/A

ID: 294756

2-(2,5-dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C12H15BBr2O2

Suppliers	Catalog Number
Bide Pharmatech	BD234540

Database	Data ID
PubChem	70700652

M. W.

361.8653

CAS

1256781-64-2

Similarity

N/A

ID: 294757

methyl 2-(5-bromo-2-chlorophenyl)acetate

$$$$ Data

M. F.

C9H8BrClO2

Suppliers	Catalog Number
Bide Pharmatech	BD234685

Database	Data ID
PubChem	45108172

M. W.

263.51562

CAS

203314-33-4

Similarity

N/A

ID: 294758

(3-bromo-4-methylphenyl)methanol

$$$$ Data

M. F.

C8H9BrO

Suppliers	Catalog Number
Bide Pharmatech	BD239012

Database	Data ID
PubChem	12947381

M. W.

201.06046

CAS

68120-35-4

Similarity

N/A

ID: 294759

3-bromo-5-fluorobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C6H3BrClFO2S

Suppliers	Catalog Number
Bide Pharmatech	BD223029

Database	Data ID
PubChem	51000079

M. W.

273.5072232

CAS

1214342-44-5

Similarity

N/A

ID: 294760

2,2-dimethylbut-3-ynoic acid

$$$$ Data

M. F.

C6H8O2

Suppliers	Catalog Number
Bide Pharmatech	BD29073
A&J Pharmtech	AJA-O10668

Database	Data ID
PubChem	13905647

M. W.

112.12652

CAS

56663-76-4

Similarity

N/A

ID: 294761

3,4-dihydro-2H-1-benzopyran-7-carboxylic acid

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Bide Pharmatech	BD246066

Database	Data ID
PubChem	22313413

M. W.

178.1846

CAS

527681-33-0

Similarity

N/A

ID: 294762

4-methoxy-2,2-dimethyl-4-oxobutanoic acid

$$$$ Data

M. F.

C7H12O4

Suppliers	Catalog Number
Bide Pharmatech	BD247434

Database	Data ID
PubChem	12602176

M. W.

160.16778

CAS

54043-71-9

Similarity

N/A

ID: 294763

8-chloroisoquinolin-5-amine

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD164848

Database	Data ID
PubChem	53421157

M. W.

178.61828

CAS

934554-41-3

Similarity

N/A

ID: 294764

ethyl (1s,3s)-3-aminocyclobutane-1-carboxylate hydrochloride

$$$$ Data

M. F.

C7H14ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD253657

Database	Data ID
PubChem	53308469

M. W.

179.64456

CAS

957793-35-0

Similarity

N/A

ID: 294765

2-(6-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid

$$$$ Data

M. F.

C13H14O3

Suppliers	Catalog Number
Bide Pharmatech	BD254274

Database	Data ID
PubChem	21691395

M. W.

218.24846

CAS

40154-29-8

Similarity

N/A

ID: 294766

methyl 6-carbamimidoylpyridine-3-carboxylate hydrochloride

$$$$ Data

M. F.

C8H10ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD255055

Database	Data ID
PubChem	52911117

M. W.

215.6369

CAS

1179361-48-8

Similarity

N/A

ID: 294767

bicyclo[2.2.2]octan-2-one

$$$$ Data

M. F.

C8H12O

Suppliers	Catalog Number
Bide Pharmatech	BD265835

Database	Data ID
PubChem	137688

M. W.

124.18028

CAS

2716-23-6

Similarity

N/A

ID: 294768

ethyl 6-bromo-1,2-benzoxazole-3-carboxylate

$$$$ Data

M. F.

C10H8BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD265902

Database	Data ID
PubChem	53401270

M. W.

270.07942

CAS

651780-27-7

Similarity

N/A

ID: 294769

(3aR,6aS)-hexahydro-1H-furo[3,4-c]pyrrole hydrochloride

$$$$ Data

M. F.

C6H12ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD265913

Database	Data ID
PubChem	66584117

M. W.

149.61858

CAS

57710-36-8

Similarity

N/A

ID: 294770

ethyl 4-oxo-1H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C9H9N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD210590

Database	Data ID
PubChem	54579900

M. W.

207.18606

CAS

853058-41-0

Similarity

N/A

ID: 294771

6-bromo-1-methyl-1H-1,2,3-benzotriazole

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD211359

Database	Data ID
PubChem	53393378

M. W.

212.04664

CAS

1083181-43-4

Similarity

N/A

ID: 294772

(6-fluoropyridin-2-yl)methanol

$$$$ Data

M. F.

C6H6FNO

Suppliers	Catalog Number
Bide Pharmatech	BD75048

Database	Data ID
PubChem	12045263

M. W.

127.1163432

CAS

315180-17-7

Similarity

N/A

ID: 294773

methyl (2Z)-2-{[(tert-butoxy)carbonyl]amino}but-2-enoate

$$$$ Data

M. F.

C10H17NO4

Suppliers	Catalog Number
Bide Pharmatech	BD213243

Database	Data ID
PubChem	11401635

M. W.

215.24628

CAS

63658-16-2

Similarity

N/A

ID: 294774

4-bromo-2,6-difluoropyridine

$$$$ Data

M. F.

C5H2BrF2N

Suppliers	Catalog Number
Bide Pharmatech	BD216565

Database	Data ID
PubChem	22015559

M. W.

193.9768864

CAS

903513-58-6

Similarity

N/A

ID: 294775

6-fluoro-1H-pyrrolo[3,2-b]pyridine

$$$$ Data

M. F.

C7H5FN2

Suppliers	Catalog Number
Bide Pharmatech	BD212847

Database	Data ID
PubChem	53413083

M. W.

136.1264032

CAS

1190320-33-2

Similarity

N/A

ID: 294776

4-bromo-2-methoxy-3-methylpyridine

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD218267

Database	Data ID
PubChem	70700416

M. W.

202.04852

CAS

112197-12-3

Similarity

N/A

ID: 294777

tert-butyl 5-hydroxy-2,3-dihydro-1H-isoindole-2-carboxylate

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Bide Pharmatech	BD222616

Database	Data ID
PubChem	18630963

M. W.

235.27898

CAS

226070-47-9

Similarity

N/A

ID: 294778

azulen-2-amine

$$$$ Data

M. F.

C10H9N

Suppliers	Catalog Number
Bide Pharmatech	BD237514

Database	Data ID
PubChem	5243928

M. W.

143.18516

CAS

50472-20-3

Similarity

N/A

ID: 294779

2,3,3-trimethyl-5-nitro-3H-indole

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD13085

Database	Data ID
PubChem	97551

M. W.

204.22518

CAS

3484-22-8

Similarity

N/A

ID: 294780

(2-chloro-6-nitrophenyl)methanol

$$$$ Data

M. F.

C7H6ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD4600

Database	Data ID
PubChem	4677571

M. W.

187.58044

CAS

50907-57-8

Similarity

N/A

ID: 294781

2-(aminooxy)ethan-1-ol

$$$$ Data

M. F.

C2H7NO2

Suppliers	Catalog Number
Bide Pharmatech	BD223110

Database	Data ID
PubChem	3014186

M. W.

77.08248

CAS

3279-95-6

Similarity

N/A

ID: 294782

N-(piperidin-4-yl)pyrimidin-2-amine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Bide Pharmatech	BD238100

Database	Data ID
PubChem	18374737

M. W.

178.23426

CAS

69385-85-9

Similarity

N/A

ID: 294783

methyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate

$$$$ Data

M. F.

C16H20BNO4

Suppliers	Catalog Number
Bide Pharmatech	BD265200

Database	Data ID
PubChem	53217131

M. W.

301.1453

CAS

1256359-21-3

Similarity

N/A

ID: 294784

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanedioic acid

$$$$ Data

M. F.

C18H15NO6

Suppliers	Catalog Number
Bide Pharmatech	BD33097

Database	Data ID
PubChem	17903764

M. W.

341.3148

CAS

296261-32-0

Similarity

N/A

ID: 294785

5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Bide Pharmatech	BD103900
A&J Pharmtech	AJA-O31633

Database	Data ID
PubChem	18377291

M. W.

165.1643232

CAS

230301-83-4

Similarity

N/A

ID: 294786

3-chloro-1H-indazol-6-amine

$$$$ Data

M. F.

C7H6ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD108109
A&J Pharmtech	AJA-O23756

Database	Data ID
PubChem	14790453

M. W.

167.59564

CAS

21413-23-0

Similarity

N/A

ID: 294787

9-{[(tert-butoxy)carbonyl]amino}nonanoic acid

$$$$ Data

M. F.

C14H27NO4

Suppliers	Catalog Number
Bide Pharmatech	BD117731

Database	Data ID
PubChem	4170356

M. W.

273.36848

CAS

173435-78-4

Similarity

N/A

ID: 294788

3-bromo-7-methoxyquinoline

$$$$ Data

M. F.

C10H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD208588

Database	Data ID
PubChem	18788548

M. W.

238.08062

CAS

959121-99-4

Similarity

N/A

ID: 294789

5-bromo-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C2H3BrN4

Suppliers	Catalog Number
ChemBridge	4018525
Bide Pharmatech	BD216320

Database	Data ID
PubChem	45090800

M. W.

162.97602

CAS

389122-08-1

Similarity

N/A

ID: 294790

ethyl 2-(4-oxocyclohexyl)acetate

$$$$ Data

M. F.

C10H16O3

Suppliers	Catalog Number
Bide Pharmatech	BD219153
A&J Pharmtech	AJA-O9693

Database	Data ID
PubChem	12666966

M. W.

184.23224

CAS

58012-34-3

Similarity

N/A

ID: 294791

4-bromo-6-methyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C5H5BrN2O

Suppliers	Catalog Number
ChemBridge	4040475
Bide Pharmatech	BD221007
A&J Pharmtech	AJA-O13682

Database	Data ID
PubChem	51358562

M. W.

189.01

CAS

954240-46-1

Similarity

N/A

ID: 294792

5-bromo-1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one

$$$$ Data

M. F.

C7H5BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD223817

Database	Data ID
PubChem	70701147

M. W.

213.0314

CAS

1217002-90-8

Similarity

N/A

ID: 294793

2,3-dibromo-6-methoxypyridine

$$$$ Data

M. F.

C6H5Br2NO

Suppliers	Catalog Number
Bide Pharmatech	BD237110

Database	Data ID
PubChem	59389317

M. W.

266.918

CAS

909720-21-4

Similarity

N/A

ID: 294794

1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride

$$$$ Data

M. F.

C7H13Cl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD24610

Database	Data ID
PubChem	70701198

M. W.

210.10422

CAS

1228878-69-0

Similarity

N/A

ID: 294795

[2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl]palladiumylium chloride

$$$$ Data

M. F.

C26H45ClN6P2Pd

Suppliers	Catalog Number
Bide Pharmatech	BD246799

Database	Data ID
PubChem	71464073

M. W.

645.496222

CAS

955035-37-7

Similarity

N/A

ID: 294796

ethyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate

$$$$ Data

M. F.

C9H7ClF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD247668
A&J Pharmtech	AJA-O36166

Database	Data ID
PubChem	57347018

M. W.

253.6055896

CAS

1196146-35-6

Similarity

N/A

ID: 294797

3-bromo-5-methoxy-2-methylpyridine

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD254358

Database	Data ID
PubChem	57347293

M. W.

202.04852

CAS

1256823-49-0

Similarity

N/A

ID: 294798

2,6-diazaspiro[3.4]octan-7-one; oxalic acid

$$$$ Data

M. F.

C8H12N2O5

Suppliers	Catalog Number
Bide Pharmatech	BD263504

Database	Data ID
PubChem	72207235

M. W.

216.19128

CAS

Similarity

N/A

ID: 294799

bis(1-oxa-6-azaspiro[3.5]nonane); oxalic acid

$$$$ Data

M. F.

C16H28N2O6

Suppliers	Catalog Number
Bide Pharmatech	BD265829

Database	Data ID
PubChem	72207236

M. W.

344.40332

CAS

Similarity

N/A

ID: 294800

(2R,5R)-2,5-dimethylmorpholine hydrochloride

$$$$ Data

M. F.

C6H14ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD266281

Database	Data ID
PubChem	72207237

M. W.

151.63446

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