Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H5ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD240617
A&J Pharmtech	AJA-O35861

Database	Data ID
PubChem	15153031

M. W.

164.5917

CAS

7689-62-5

Similarity

N/A

ID: 292252

3-hydroxycyclobutane-1-carbonitrile

$$$$ Data

M. F.

C5H7NO

Suppliers	Catalog Number
Bide Pharmatech	BD240635

Database	Data ID
PubChem	22408685

M. W.

97.11518

CAS

20249-17-6

Similarity

N/A

ID: 292253

3-ethoxypyridin-4-amine

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD240646

Database	Data ID
PubChem	21387881

M. W.

138.1671

CAS

89943-13-5

Similarity

N/A

ID: 292254

tert-butyl 2-formyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

$$$$ Data

M. F.

C13H17NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD240647

Database	Data ID
PubChem	18670293

M. W.

267.34398

CAS

203663-30-3

Similarity

N/A

ID: 292255

(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate

$$$$ Data

M. F.

C9H13I2NO5

Suppliers	Catalog Number
Alfa Aesar	A10702
Bide Pharmatech	BD240651

Database	Data ID
PubChem	2724330

M. W.

469.01216

CAS

18835-59-1

Similarity

N/A

ID: 292256

6,8-dibromo-[1,2,4]triazolo[1,5-a]pyridine

$$$$ Data

M. F.

C6H3Br2N3

Suppliers	Catalog Number
Bide Pharmatech	BD240906

Database	Data ID
PubChem	71463749

M. W.

276.91612

CAS

1310680-10-4

Similarity

N/A

ID: 292257

5-bromo-4-methyl-1H-1,2,3-triazole hydrochloride

$$$$ Data

M. F.

C3H5BrClN3

Suppliers	Catalog Number
Bide Pharmatech	BD240934
A&J Pharmtech	AJA-O1674

Database	Data ID
PubChem	70701172

M. W.

198.4489

CAS

1429056-33-6

Similarity

N/A

ID: 292258

5-bromo-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C5H4BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD240935

Database	Data ID
PubChem	14226492

M. W.

173.99536

CAS

931-34-0

Similarity

N/A

ID: 292259

2-(bromomethyl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD240967

Database	Data ID
PubChem	53416337

M. W.

197.032

CAS

116986-12-0

Similarity

N/A

ID: 292260

ethyl 5-methoxypyrazine-2-carboxylate

$$$$ Data

M. F.

C8H10N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241022

Database	Data ID
PubChem	21828941

M. W.

182.1766

CAS

54013-05-7

Similarity

N/A

ID: 292261

(3S)-morpholine-3-carboxylic acid

$$$$ Data

M. F.

C5H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241027

Database	Data ID
PubChem	1501894

M. W.

131.12986

CAS

106825-79-0

Similarity

N/A

ID: 292262

2-bromo-4-chloro-3-methyl-1-nitrobenzene

$$$$ Data

M. F.

C7H5BrClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241042

Database	Data ID
PubChem	12953018

M. W.

250.4771

CAS

80026-21-7

Similarity

N/A

ID: 292263

6-nitro-2,3-dihydroquinoxalin-2-one

$$$$ Data

M. F.

C8H5N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD241052

Database	Data ID
PubChem	73994931

M. W.

191.1436

CAS

25652-34-0

Similarity

N/A

ID: 292264

5-chloro-4-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5H2ClF3N2

Suppliers	Catalog Number
Bide Pharmatech	BD241053

Database	Data ID
PubChem	70701094

M. W.

182.5309896

CAS

1260773-71-4

Similarity

N/A

ID: 292265

5-iodo-4-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5H2F3IN2

Suppliers	Catalog Number
Bide Pharmatech	BD241054

Database	Data ID
PubChem	70701093

M. W.

273.9824596

CAS

1260843-81-9

Similarity

N/A

ID: 292266

ethyl quinoline-4-carboxylate

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241055

Database	Data ID
PubChem	281193

M. W.

201.22124

CAS

10447-29-7

Similarity

N/A

ID: 292267

5-(trifluoromethyl)-1,3-benzoxazole

$$$$ Data

M. F.

C8H4F3NO

Suppliers	Catalog Number
Bide Pharmatech	BD241087

Database	Data ID
PubChem	21749513

M. W.

187.1186696

CAS

1267217-46-8

Similarity

N/A

ID: 292268

3-(dimethylamino)benzonitrile

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD241088

Database	Data ID
PubChem	3453879

M. W.

146.1891

CAS

38803-30-4

Similarity

N/A

ID: 292269

3-oxo-2,3-dihydropyridazine-4-carboxamide

$$$$ Data

M. F.

C5H5N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241089

Database	Data ID
PubChem	3014076

M. W.

139.1121

CAS

2125-92-0

Similarity

N/A

ID: 292270

methyl 2,6-difluoro-4-methylbenzoate

$$$$ Data

M. F.

C9H8F2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241090

Database	Data ID
PubChem	22967483

M. W.

186.1554264

CAS

79538-30-0

Similarity

N/A

ID: 292271

ethyl 2,6-difluoro-4-methylbenzoate

$$$$ Data

M. F.

C10H10F2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241091

Database	Data ID
PubChem	70701086

M. W.

200.1820064

CAS

1337606-88-8

Similarity

N/A

ID: 292272

2,6-difluoro-4-methylbenzaldehyde

$$$$ Data

M. F.

C8H6F2O

Suppliers	Catalog Number
Bide Pharmatech	BD241092

Database	Data ID
PubChem	21063800

M. W.

156.1294464

CAS

1201597-22-9

Similarity

N/A

ID: 292273

2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

$$$$ Data

M. F.

C6H6N4

Suppliers	Catalog Number
Bide Pharmatech	BD241057

Database	Data ID
PubChem	584093

M. W.

134.13864

CAS

20914-69-6

Similarity

N/A

ID: 292274

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

$$$$ Data

M. F.

C6H2BrCl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD241058

Database	Data ID
PubChem	57990440

M. W.

266.91018

CAS

900789-14-2

Similarity

N/A

ID: 292275

4-chloro-8-fluoroquinazoline

$$$$ Data

M. F.

C8H4ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD241059

Database	Data ID
PubChem	19939133

M. W.

182.5821632

CAS

124429-27-2

Similarity

N/A

ID: 292276

1-bromo-2,7-naphthyridine

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241060

Database	Data ID
PubChem	13082168

M. W.

209.0427

CAS

86278-61-7

Similarity

N/A

ID: 292277

8-chloroquinazolin-4-ol

$$$$ Data

M. F.

C8H5ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241061

Database	Data ID
PubChem	10845104

M. W.

180.5911

CAS

101494-95-5

Similarity

N/A

ID: 292278

ethyl 1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C16H14N2O4S

Suppliers	Catalog Number
Bide Pharmatech	BD241062

Database	Data ID
PubChem	68005565

M. W.

330.35836

CAS

146603-30-7

Similarity

N/A

ID: 292279

8-methoxyquinazolin-4-ol

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241063

Database	Data ID
PubChem	12841543

M. W.

176.17202

CAS

16064-27-0

Similarity

N/A

ID: 292280

3-(hydroxymethyl)-2-methylphenol

$$$$ Data

M. F.

C8H10O2

Suppliers	Catalog Number
Bide Pharmatech	BD241064

Database	Data ID
PubChem	13059426

M. W.

138.1638

CAS

54874-26-9

Similarity

N/A

ID: 292281

2-bromo-3-methylpyridin-4-amine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241065

Database	Data ID
PubChem	12643708

M. W.

187.03718

CAS

79055-61-1

Similarity

N/A

ID: 292282

2-iodo-3-methylpyridin-4-amine

$$$$ Data

M. F.

C6H7IN2

Suppliers	Catalog Number
Bide Pharmatech	BD241066

Database	Data ID
PubChem	12643711

M. W.

234.03765

CAS

79055-58-6

Similarity

N/A

ID: 292283

tert-butyl N-(2-chloro-3-methylpyridin-4-yl)carbamate

$$$$ Data

M. F.

C11H15ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241067

Database	Data ID
PubChem	70701091

M. W.

242.702

CAS

370864-66-7

Similarity

N/A

ID: 292284

2-chloro-3-methylpyridine-4-carbonitrile

$$$$ Data

M. F.

C7H5ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241068

Database	Data ID
PubChem	58188815

M. W.

152.581

CAS

1195189-83-3

Similarity

N/A

ID: 292285

3-tert-butylbenzene-1-carbothioamide

$$$$ Data

M. F.

C11H15NS

Suppliers	Catalog Number
Bide Pharmatech	BD241070

Database	Data ID
PubChem	46779073

M. W.

193.3085

CAS

1314936-03-2

Similarity

N/A

ID: 292286

2-tert-butylbenzene-1-carbothioamide

$$$$ Data

M. F.

C11H15NS

Suppliers	Catalog Number
Bide Pharmatech	BD241071

Database	Data ID
PubChem	46779072

M. W.

193.3085

CAS

1314934-69-4

Similarity

N/A

ID: 292287

ethyl 3-amino-4-iodobenzoate

$$$$ Data

M. F.

C9H10INO2

Suppliers	Catalog Number
Bide Pharmatech	BD241072

Database	Data ID
PubChem	59762281

M. W.

291.08567

CAS

1261569-51-0

Similarity

N/A

ID: 292288

3-amino-4-iodobenzonitrile

$$$$ Data

M. F.

C7H5IN2

Suppliers	Catalog Number
Bide Pharmatech	BD241073

Database	Data ID
PubChem	70701090

M. W.

244.03247

CAS

665033-21-6

Similarity

N/A

ID: 292289

ethyl 4-iodo-3-nitrobenzoate

$$$$ Data

M. F.

C9H8INO4

Suppliers	Catalog Number
Bide Pharmatech	BD241074

Database	Data ID
PubChem	11186300

M. W.

321.06859

CAS

57362-77-3

Similarity

N/A

ID: 292290

1H,2H-[1,3]thiazolo[5,4-b]pyridin-2-one

$$$$ Data

M. F.

C6H4N2OS

Suppliers	Catalog Number
Bide Pharmatech	BD241075

Database	Data ID
PubChem	13323937

M. W.

152.17376

CAS

90180-85-1

Similarity

N/A

ID: 292291

2-methoxy-[1,3]thiazolo[5,4-b]pyridine

$$$$ Data

M. F.

C7H6N2OS

Suppliers	Catalog Number
Bide Pharmatech	BD241076

Database	Data ID
PubChem	12295802

M. W.

166.20034

CAS

67219-27-6

Similarity

N/A

ID: 292292

2-chloro-[1,3]thiazolo[5,4-b]pyridine

$$$$ Data

M. F.

C6H3ClN2S

Suppliers	Catalog Number
Bide Pharmatech	BD241077

Database	Data ID
PubChem	13342803

M. W.

170.61942

CAS

91524-96-8

Similarity

N/A

ID: 292293

5-phenyl-1,3-thiazole-2-carbonitrile

$$$$ Data

M. F.

C10H6N2S

Suppliers	Catalog Number
Bide Pharmatech	BD241078

Database	Data ID
PubChem	70701089

M. W.

186.23304

CAS

1316218-36-6

Similarity

N/A

ID: 292294

2-methyl-5-phenyl-1,3-thiazole

$$$$ Data

M. F.

C10H9NS

Suppliers	Catalog Number
Bide Pharmatech	BD241079

Database	Data ID
PubChem	12367510

M. W.

175.25016

CAS

19968-60-6

Similarity

N/A

ID: 292295

ethyl [(2-oxo-2-phenylethyl)carbamoyl]formate

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241080

Database	Data ID
PubChem	12830685

M. W.

235.23592

CAS

84978-66-5

Similarity

N/A

ID: 292296

(5-fluoropyridin-2-yl)methanol hydrochloride

$$$$ Data

M. F.

C6H7ClFNO

Suppliers	Catalog Number
Bide Pharmatech	BD241081

Database	Data ID
PubChem	70701088

M. W.

163.5772832

CAS

31181-80-3

Similarity

N/A

ID: 292297

2-N,2-N-dimethylpyridine-2,5-diamine hydrochloride

$$$$ Data

M. F.

C7H12ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD241082

Database	Data ID
PubChem	70701087

M. W.

173.64328

CAS

119151-81-4

Similarity

N/A

ID: 292298

2-methyl-2-(3-nitrophenyl)propanamide

$$$$ Data

M. F.

C10H12N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241084

Database	Data ID
PubChem	67105968

M. W.

208.21388

CAS

103151-23-1

Similarity

N/A

ID: 292299

2-methyl-2-(3-nitrophenyl)propanenitrile

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241085

Database	Data ID
PubChem	15541324

M. W.

190.1986

CAS

915394-28-4

Similarity

N/A

ID: 292300

2-ethoxy-4-nitropyridine

$$$$ Data

M. F.

C7H8N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241086

Database	Data ID
PubChem	53485319

M. W.

168.15002

CAS

1187732-70-2

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