Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H4BrNS2

Suppliers	Catalog Number
Bide Pharmatech	BD22332

Database	Data ID
PubChem	4408260

M. W.

246.14736

CAS

71216-20-1

Similarity

N/A

ID: 289502

cyclopropylhydrazine hydrochloride

$$$$ Data

M. F.

C3H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD222850

Database	Data ID
PubChem	19594967

M. W.

108.56996

CAS

213764-25-1

Similarity

N/A

ID: 289503

2-oxa-8-azaspiro[4.5]decane; oxalic acid

$$$$ Data

M. F.

C10H17NO5

Suppliers	Catalog Number
Bide Pharmatech	BD222882

Database	Data ID
PubChem	71464355

M. W.

231.24568

CAS

Similarity

N/A

ID: 289504

cyclobutane-1,3-dicarboxylic acid

$$$$ Data

M. F.

C6H8O4

Suppliers	Catalog Number
Bide Pharmatech	BD222890

Database	Data ID
PubChem	137582

M. W.

144.12532

CAS

62184-63-8

Similarity

N/A

ID: 289505

5-chloro-2-ethynylpyrimidine

$$$$ Data

M. F.

C6H3ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD222960
A&J Pharmtech	AJA-O36142

Database	Data ID
PubChem	71607290

M. W.

138.55442

CAS

1196156-95-2

Similarity

N/A

ID: 289506

3-butyl-1-methyl-1H-imidazol-3-ium chloride

$$$$ Data

M. F.

C8H15ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD223000
A&J Pharmtech	AJA-O11044

Database	Data ID
PubChem	2734161

M. W.

174.6711

CAS

79917-90-1

Similarity

N/A

ID: 289507

difluoromethanesulfonylbenzene

$$$$ Data

M. F.

C7H6F2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD223025
A&J Pharmtech	AJA-O10676

Database	Data ID
PubChem	11816356

M. W.

192.1831464

CAS

1535-65-5

Similarity

N/A

ID: 289508

7H-purin-6-amine; phosphoric acid

$$$$ Data

M. F.

C5H8N5O4P

Suppliers	Catalog Number
Bide Pharmatech	BD22306

Database	Data ID
PubChem	198277

M. W.

233.121881

CAS

70700-30-0

Similarity

N/A

ID: 289509

ethyl 4-bromo-1,3-oxazole-5-carboxylate

$$$$ Data

M. F.

C6H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD223076
A&J Pharmtech	AJA-O6370

Database	Data ID
PubChem	57345812

M. W.

220.02074

CAS

1258283-17-8

Similarity

N/A

ID: 289510

4-bromo-3,6-dichloropyridazine

$$$$ Data

M. F.

C4HBrCl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD223086

Database	Data ID
PubChem	22030648

M. W.

227.87414

CAS

10344-42-0

Similarity

N/A

ID: 289511

4-methoxy-2,3-dihydro-1H-isoindole

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Bide Pharmatech	BD223112
A&J Pharmtech	AJA-O37979

Database	Data ID
PubChem	14795864

M. W.

149.18974

CAS

127168-73-4

Similarity

N/A

ID: 289512

4-bromo-2-ethenylpyridine

$$$$ Data

M. F.

C7H6BrN

Suppliers	Catalog Number
Bide Pharmatech	BD223117

Database	Data ID
PubChem	29941927

M. W.

184.03324

CAS

502509-20-8

Similarity

N/A

ID: 289513

5-methoxy-2,3-dihydro-1H-isoindole hydrobromide

$$$$ Data

M. F.

C9H12BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD223136

Database	Data ID
PubChem	53302066

M. W.

230.10168

CAS

1056165-25-3

Similarity

N/A

ID: 289514

3-methyl-1H,2H,3H-thieno[2,3-d]imidazol-2-one

$$$$ Data

M. F.

C6H6N2OS

Suppliers	Catalog Number
Bide Pharmatech	BD223166

Database	Data ID
PubChem	15470969

M. W.

154.18964

CAS

231630-13-0

Similarity

N/A

ID: 289515

1-(3-amino-2-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD22320
A&J Pharmtech	AJA-O5294 AJA-O4213

Database	Data ID
PubChem	459294

M. W.

151.16256

CAS

90005-55-3

Similarity

N/A

ID: 289516

1,3-benzoxazole-7-carboxylic acid

$$$$ Data

M. F.

C8H5NO3

Suppliers	Catalog Number
Bide Pharmatech	BD223200

Database	Data ID
PubChem	18355310

M. W.

163.1302

CAS

208772-24-1

Similarity

N/A

ID: 289517

methyl 2-(3-fluoro-4-methylphenyl)acetate

$$$$ Data

M. F.

C10H11FO2

Suppliers	Catalog Number
Bide Pharmatech	BD223202

Database	Data ID
PubChem	59016695

M. W.

182.1915432

CAS

787585-29-9

Similarity

N/A

ID: 289518

methyl 4-chloro-3-hydroxybenzoate

$$$$ Data

M. F.

C8H7ClO3

Suppliers	Catalog Number
Bide Pharmatech	BD223223
A&J Pharmtech	AJA-O38031

Database	Data ID
PubChem	11819787

M. W.

186.59238

CAS

166272-81-7

Similarity

N/A

ID: 289519

methyl 2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carboxylate

$$$$ Data

M. F.

C14H12N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD22323

Database	Data ID
PubChem	326419

M. W.

272.25608

CAS

71071-46-0

Similarity

N/A

ID: 289520

3-(4-bromophenyl)-9-phenyl-9H-carbazole

$$$$ Data

M. F.

C24H16BrN

Suppliers	Catalog Number
Bide Pharmatech	BD222663

Database	Data ID
PubChem	51358293

M. W.

398.29454

CAS

1028647-93-9

Similarity

N/A

ID: 289521

(5-bromopyrimidin-2-yl)methanol

$$$$ Data

M. F.

C5H5BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD222679

Database	Data ID
PubChem	20557619

M. W.

189.01

CAS

22433-12-1

Similarity

N/A

ID: 289522

methyl 2,4-dihydroxy-6-methylbenzoate

$$$$ Data

M. F.

C9H10O4

Suppliers	Catalog Number
BioBioPha	BBP01305
Bide Pharmatech	BD222683

Database	Data ID
PubChem	76658

M. W.

182.1733

CAS

3187-58-4

Similarity

N/A

ID: 289523

(1-methyl-1H-imidazol-4-yl)methanamine hydrochloride

$$$$ Data

M. F.

C5H10ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD222697

Database	Data ID
PubChem	53350316

M. W.

147.606

CAS

1394838-42-6

Similarity

N/A

ID: 289524

6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C8H5BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD222745

Database	Data ID
PubChem	57372319

M. W.

241.0415

CAS

1211596-19-8

Similarity

N/A

ID: 289525

2,4-dichloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C6H5Cl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD222747

Database	Data ID
PubChem	44630726

M. W.

190.03

CAS

785775-01-1

Similarity

N/A

ID: 289526

4H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H6N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD222788

Database	Data ID
PubChem	70700207

M. W.

162.14544

CAS

1086423-45-1

Similarity

N/A

ID: 289527

4-chloro-N-methylaniline hydrochloride

$$$$ Data

M. F.

C7H9Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD222828

Database	Data ID
PubChem	20268922

M. W.

178.05906

CAS

30953-65-2

Similarity

N/A

ID: 289528

4-({[(tert-butoxy)carbonyl](methyl)amino}methyl)benzoic acid

$$$$ Data

M. F.

C14H19NO4

Suppliers	Catalog Number
Bide Pharmatech	BD222838

Database	Data ID
PubChem	22450242

M. W.

265.30496

CAS

210963-04-5

Similarity

N/A

ID: 289529

2-bromo-7-nitro-1,3-benzothiazole

$$$$ Data

M. F.

C7H3BrN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD223316

Database	Data ID
PubChem	68581998

M. W.

259.07992

CAS

3507-49-1

Similarity

N/A

ID: 289530

7-nitro-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C7H5N3O2S

Suppliers	Catalog Number
Bide Pharmatech	BD223317
A&J Pharmtech	AJA-O40450

Database	Data ID
PubChem	4325724

M. W.

195.1985

CAS

89793-81-7

Similarity

N/A

ID: 289531

5-hydroxypiperidin-2-one

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD223319

Database	Data ID
PubChem	11378472

M. W.

115.13046

CAS

19365-07-2

Similarity

N/A

ID: 289532

4-amino-2,3-dichlorophenol

$$$$ Data

M. F.

C6H5Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD223361

Database	Data ID
PubChem	9877529

M. W.

178.016

CAS

39183-17-0

Similarity

N/A

ID: 289533

(1H-1,2,3-benzotriazol-5-yl)boronic acid

$$$$ Data

M. F.

C6H6BN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD223363
A&J Pharmtech	AJA-O18816

Database	Data ID
PubChem	6416391

M. W.

162.94174

CAS

183282-45-3

Similarity

N/A

ID: 289534

1-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C15H25BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD223368

Database	Data ID
PubChem	57345810

M. W.

276.1822

CAS

1175275-00-9

Similarity

N/A

ID: 289535

3,6-dichloro-2-methylpyridine

$$$$ Data

M. F.

C6H5Cl2N

Suppliers	Catalog Number
ChemBridge	4050886
Bide Pharmatech	BD223386

Database	Data ID
PubChem	919320

M. W.

162.0166

CAS

123280-64-8

Similarity

N/A

ID: 289536

(1-phenylethyl)(propan-2-yl)amine

$$$$ Data

M. F.

C11H17N

Suppliers	Catalog Number
Bide Pharmatech	BD223394

Database	Data ID
PubChem	3805391

M. W.

163.25938

CAS

19302-16-0

Similarity

N/A

ID: 289537

5-chloro-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C8H4ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD22344
A&J Pharmtech	AJA-O947

Database	Data ID
PubChem	231239

M. W.

181.57586

CAS

7147-90-2

Similarity

N/A

ID: 289538

5-hydroxy-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C4H4N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD223456

Database	Data ID
PubChem	417875

M. W.

112.08676

CAS

15837-41-9

Similarity

N/A

ID: 289539

2-(3-chlorothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C10H14BClO2S

Suppliers	Catalog Number
Alfa Aesar	H31951
Bide Pharmatech	BD223488

Database	Data ID
PubChem	45588127

M. W.

244.54596

CAS

1040281-97-7

Similarity

N/A

ID: 289540

methyl 3-methoxy-5-methylbenzoate

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Bide Pharmatech	BD223534

Database	Data ID
PubChem	13834966

M. W.

180.20048

CAS

108593-44-8

Similarity

N/A

ID: 289541

4-bromo-2,6-dichloropyridine

$$$$ Data

M. F.

C5H2BrCl2N

Suppliers	Catalog Number
Bide Pharmatech	BD223575
A&J Pharmtech	AJA-O38169

Database	Data ID
PubChem	20280766

M. W.

226.88608

CAS

98027-80-6

Similarity

N/A

ID: 289542

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

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD223577

Database	Data ID
PubChem	53443442

M. W.

197.032

CAS

1215387-58-8

Similarity

N/A

ID: 289543

2-(bromomethyl)-6-fluoropyridine

$$$$ Data

M. F.

C6H5BrFN

Suppliers	Catalog Number
Bide Pharmatech	BD223583
A&J Pharmtech	AJA-O1852

Database	Data ID
PubChem	13985218

M. W.

190.0130032

CAS

100202-78-6

Similarity

N/A

ID: 289544

3-(bromomethyl)-2-methoxypyridine

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD223589

Database	Data ID
PubChem	57574512

M. W.

202.04852

CAS

942060-13-1

Similarity

N/A

ID: 289545

1,1-diethyl 3-hydroxycyclobutane-1,1-dicarboxylate

$$$$ Data

M. F.

C10H16O5

Suppliers	Catalog Number
Bide Pharmatech	BD223645

Database	Data ID
PubChem	14728564

M. W.

216.23104

CAS

99974-66-0

Similarity

N/A

ID: 289546

6-chloro-5-methyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C5H5ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD223646

Database	Data ID
PubChem	164871

M. W.

144.559

CAS

1703-07-7

Similarity

N/A

ID: 289547

6-chloro-5-(trifluoromethyl)pyridin-3-amine

$$$$ Data

M. F.

C6H4ClF3N2

Suppliers	Catalog Number
Bide Pharmatech	BD223647
A&J Pharmtech	AJA-O37806

Database	Data ID
PubChem	13532244

M. W.

196.5575696

CAS

99368-68-0

Similarity

N/A

ID: 289548

6-chloro-2-nitropyridin-3-ol

$$$$ Data

M. F.

C5H3ClN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD223648

Database	Data ID
PubChem	53427716

M. W.

174.54192

CAS

887471-39-8

Similarity

N/A

ID: 289549

7-iodo-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C8H6INO2

Suppliers	Catalog Number
Bide Pharmatech	BD223649

Database	Data ID
PubChem	57345822

M. W.

275.04321

CAS

874840-87-6

Similarity

N/A

ID: 289550

4-hydroxy-6-methyl-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C6H7NO2

Suppliers	Catalog Number
Bide Pharmatech	BD223650

Database	Data ID
PubChem	54691419

M. W.

125.12528

CAS

3749-51-7

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