Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241761

Database	Data ID
PubChem	12937134

M. W.

209.0427

CAS

81044-15-7

Similarity

N/A

ID: 292902

8-bromo-1,7-naphthyridine

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241762
A&J Pharmtech	AJA-O36670

Database	Data ID
PubChem	56689046

M. W.

209.0427

CAS

63845-72-7

Similarity

N/A

ID: 292903

1,6-naphthyridin-5-amine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Bide Pharmatech	BD241763
A&J Pharmtech	AJA-O21085

Database	Data ID
PubChem	29249622

M. W.

145.16128

CAS

55570-60-0

Similarity

N/A

ID: 292904

4-[(4-nitrophenyl)methyl]morpholine hydrochloride

$$$$ Data

M. F.

C11H15ClN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241764

Database	Data ID
PubChem	12424421

M. W.

258.7014

CAS

90754-91-9

Similarity

N/A

ID: 292905

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

$$$$ Data

M. F.

C7H4BrCl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD241766

Database	Data ID
PubChem	59608080

M. W.

280.93676

CAS

1131992-13-6

Similarity

N/A

ID: 292906

2-iodo-5-methoxypyrazine

$$$$ Data

M. F.

C5H5IN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241768

Database	Data ID
PubChem	70700956

M. W.

236.01047

CAS

942624-06-8

Similarity

N/A

ID: 292907

3-bromo-1H-indazol-4-amine

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD241769

Database	Data ID
PubChem	24728194

M. W.

212.04664

CAS

885521-25-5

Similarity

N/A

ID: 292908

ethyl 2-amino-5-cyanobenzoate

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241770

Database	Data ID
PubChem	60008260

M. W.

190.1986

CAS

1108668-03-6

Similarity

N/A

ID: 292909

2-amino-5-cyanobenzoic acid

$$$$ Data

M. F.

C8H6N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241771

Database	Data ID
PubChem	10057817

M. W.

162.14544

CAS

99767-45-0

Similarity

N/A

ID: 292910

ethyl 2-bromo-5-cyanobenzoate

$$$$ Data

M. F.

C10H8BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241772

Database	Data ID
PubChem	70700955

M. W.

254.08002

CAS

1261585-44-7

Similarity

N/A

ID: 292911

2-bromo-5-cyanobenzoic acid

$$$$ Data

M. F.

C8H4BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241773

Database	Data ID
PubChem	53256761

M. W.

226.02686

CAS

845616-12-8

Similarity

N/A

ID: 292912

(6-methylpyridin-2-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C7H12Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD241789

Database	Data ID
PubChem	70096601

M. W.

195.08958

CAS

858838-82-1

Similarity

N/A

ID: 292913

4-(2-chloroethyl)benzonitrile

$$$$ Data

M. F.

C9H8ClN

Suppliers	Catalog Number
Bide Pharmatech	BD241790

Database	Data ID
PubChem	22114292

M. W.

165.61952

CAS

1260778-72-0

Similarity

N/A

ID: 292914

tert-butyl 4-{[(tert-butoxy)carbonyl]amino}-4-methylpiperidine-1-carboxylate

$$$$ Data

M. F.

C16H30N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD241792

Database	Data ID
PubChem	67240999

M. W.

314.4204

CAS

1187322-34-4

Similarity

N/A

ID: 292915

4-methylpiperidin-4-amine dihydrochloride

$$$$ Data

M. F.

C6H16Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD241793

Database	Data ID
PubChem	21090444

M. W.

187.11064

CAS

483366-98-9

Similarity

N/A

ID: 292916

1-phenyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C15H19BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241794

Database	Data ID
PubChem	58072367

M. W.

270.13456

CAS

1238702-58-3

Similarity

N/A

ID: 292917

1-benzyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C16H21BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241795

Database	Data ID
PubChem	70700949

M. W.

284.16114

CAS

1362243-50-2

Similarity

N/A

ID: 292918

ethyl 5-chloro-2-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241796
A&J Pharmtech	AJA-O12492 AJA-O37651

Database	Data ID
PubChem	53396281

M. W.

199.6342

CAS

868636-76-4

Similarity

N/A

ID: 292919

5-chloro-2-methylpyridine-3-carbaldehyde

$$$$ Data

M. F.

C7H6ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD241797
A&J Pharmtech	AJA-O37654 AJA-O12633

Database	Data ID
PubChem	55262965

M. W.

155.58164

CAS

1060814-56-3

Similarity

N/A

ID: 292920

5-chloro-2-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241798

Database	Data ID
PubChem	68054392

M. W.

152.581

CAS

1256819-16-5

Similarity

N/A

ID: 292921

ethyl 4-methylpyridine-3-carboxylate hydrochloride

$$$$ Data

M. F.

C9H12ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241799

Database	Data ID
PubChem	2752401

M. W.

201.65008

CAS

6316-72-9

Similarity

N/A

ID: 292922

benzyl 4-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C14H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241800

Database	Data ID
PubChem	54192890

M. W.

227.25852

CAS

164464-66-8

Similarity

N/A

ID: 292923

methyl 4-methylpyridine-3-carboxylate hydrochloride

$$$$ Data

M. F.

C8H10ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241801

Database	Data ID
PubChem	70700948

M. W.

187.6235

CAS

1352443-13-0

Similarity

N/A

ID: 292924

5-iodobenzene-1,3-dicarbaldehyde

$$$$ Data

M. F.

C8H5IO2

Suppliers	Catalog Number
Bide Pharmatech	BD241802

Database	Data ID
PubChem	70700947

M. W.

260.02857

CAS

859238-51-0

Similarity

N/A

ID: 292925

7-chloro-8-nitroquinoline

$$$$ Data

M. F.

C9H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241804

Database	Data ID
PubChem	459714

M. W.

208.6012

CAS

71331-02-7

Similarity

N/A

ID: 292926

methyl 1H-pyrrolo[3,2-h]quinoline-2-carboxylate

$$$$ Data

M. F.

C13H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241805

Database	Data ID
PubChem	154605

M. W.

226.2307

CAS

146724-32-5

Similarity

N/A

ID: 292927

2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one hydrochloride

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD241806

Database	Data ID
PubChem	70700946

M. W.

198.64944

CAS

36332-50-0

Similarity

N/A

ID: 292928

(2,6-dibromophenyl)methanol

$$$$ Data

M. F.

C7H6Br2O

Suppliers	Catalog Number
Bide Pharmatech	BD241807

Database	Data ID
PubChem	53397357

M. W.

265.92994

CAS

1013031-65-6

Similarity

N/A

ID: 292929

methyl 2,6-dibromobenzoate

$$$$ Data

M. F.

C8H6Br2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241808

Database	Data ID
PubChem	817273

M. W.

293.94004

CAS

873994-34-4

Similarity

N/A

ID: 292930

ethyl 2,6-dibromobenzoate

$$$$ Data

M. F.

C9H8Br2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241809

Database	Data ID
PubChem	20520745

M. W.

307.96662

CAS

1214375-69-5

Similarity

N/A

ID: 292931

2-ethyl-3-hydroxybenzoic acid

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Bide Pharmatech	BD241810

Database	Data ID
PubChem	15867530

M. W.

166.1739

CAS

168899-32-9

Similarity

N/A

ID: 292932

methyl 2-ethyl-3-hydroxybenzoate

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Bide Pharmatech	BD241811

Database	Data ID
PubChem	17789903

M. W.

180.20048

CAS

183108-31-8

Similarity

N/A

ID: 292933

methyl 2-ethyl-3-methoxybenzoate

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Bide Pharmatech	BD241812

Database	Data ID
PubChem	13834965

M. W.

194.22706

CAS

108593-43-7

Similarity

N/A

ID: 292934

2-ethyl-3-methoxybenzaldehyde

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Bide Pharmatech	BD241813

Database	Data ID
PubChem	59598631

M. W.

164.20108

CAS

722492-70-8

Similarity

N/A

ID: 292935

methyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate

$$$$ Data

M. F.

C6H5ClN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241814

Database	Data ID
PubChem	67477802

M. W.

188.5685

CAS

89581-64-6

Similarity

N/A

ID: 292936

1,3-diethyl 5-bromobenzene-1,3-dicarboxylate

$$$$ Data

M. F.

C12H13BrO4

Suppliers	Catalog Number
Bide Pharmatech	BD241816

Database	Data ID
PubChem	182853

M. W.

301.13322

CAS

127437-29-0

Similarity

N/A

ID: 292937

methyl 3-bromo-5-formylbenzoate

$$$$ Data

M. F.

C9H7BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD241817

Database	Data ID
PubChem	11436457

M. W.

243.05408

CAS

377734-27-5

Similarity

N/A

ID: 292938

2,6-dichloro-4-ethoxypyridine

$$$$ Data

M. F.

C7H7Cl2NO

Suppliers	Catalog Number
Bide Pharmatech	BD241818

Database	Data ID
PubChem	11499357

M. W.

192.04258

CAS

894804-42-3

Similarity

N/A

ID: 292939

methyl 3-oxopiperidine-4-carboxylate

$$$$ Data

M. F.

C7H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241819

Database	Data ID
PubChem	23553384

M. W.

157.16714

CAS

179023-37-1

Similarity

N/A

ID: 292940

methyl 3-oxopiperidine-4-carboxylate hydrochloride

$$$$ Data

M. F.

C7H12ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241820

Database	Data ID
PubChem	70700945

M. W.

193.62808

CAS

1266522-92-2

Similarity

N/A

ID: 292941

2-(6-chloropyridin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241821
A&J Pharmtech	AJA-O37133

Database	Data ID
PubChem	53416325

M. W.

156.61276

CAS

933734-79-3

Similarity

N/A

ID: 292942

2-(6-chloropyridin-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C7H10Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD241822

Database	Data ID
PubChem	53416324

M. W.

193.0737

CAS

1260790-30-4

Similarity

N/A

ID: 292943

2-(6-bromopyridin-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C7H10BrClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241823

Database	Data ID
PubChem	53416323

M. W.

237.5247

CAS

1260903-07-8

Similarity

N/A

ID: 292944

methyl isoquinoline-7-carboxylate

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241826

Database	Data ID
PubChem	22709956

M. W.

187.19466

CAS

178262-31-2

Similarity

N/A

ID: 292945

ethyl isoquinoline-7-carboxylate

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241827

Database	Data ID
PubChem	22632542

M. W.

201.22124

CAS

407623-83-0

Similarity

N/A

ID: 292946

isoquinoline-7-carboxamide

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241828

Database	Data ID
PubChem	57512589

M. W.

172.18332

CAS

1158755-26-0

Similarity

N/A

ID: 292947

3-amino-2-nitrobenzamide

$$$$ Data

M. F.

C7H7N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD241829

Database	Data ID
PubChem	18184375

M. W.

181.14878

CAS

1261551-25-0

Similarity

N/A

ID: 292948

3-amino-2-nitrobenzaldehyde

$$$$ Data

M. F.

C7H6N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241830

Database	Data ID
PubChem	70700944

M. W.

166.13414

CAS

1261498-24-1

Similarity

N/A

ID: 292949

1-(2-amino-6-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C8H8N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241831

Database	Data ID
PubChem	67596327

M. W.

180.16072

CAS

56515-63-0

Similarity

N/A

ID: 292950

1-(2-bromo-6-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C8H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241832

Database	Data ID
PubChem	70700943

M. W.

244.04214

CAS

55737-11-6

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