Chembase list of 866358 unique molecular structures

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

$$$$ Data

M. F.

C8H6ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD110445
A&J Pharmtech	AJA-O34378

Database	Data ID
PubChem	11830086

M. W.

183.59174

CAS

27320-99-6

Similarity

N/A

ID: 287002

7-chloro-2-methylquinazolin-4-ol

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD110451
A&J Pharmtech	AJA-O37781

Database	Data ID
PubChem	5229135

M. W.

194.61768

CAS

7012-88-6

Similarity

N/A

ID: 287003

7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

$$$$ Data

M. F.

C9H7ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD110457
A&J Pharmtech	AJA-O2491

Database	Data ID
PubChem	330746

M. W.

210.61708

CAS

5177-39-9

Similarity

N/A

ID: 287004

7-chloro-N,N-dimethylquinolin-4-amine

$$$$ Data

M. F.

C11H11ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD110490

Database	Data ID
PubChem	13418271

M. W.

206.67144

CAS

22072-07-7

Similarity

N/A

ID: 287005

7-chloro-5-methyl-1H-pyrazolo[4,3-b]pyridine

$$$$ Data

M. F.

C7H6ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD110500

Database	Data ID
PubChem	11679871

M. W.

167.59564

CAS

94220-38-9

Similarity

N/A

ID: 287006

7-chloroquinolin-8-amine

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD110504

Database	Data ID
PubChem	224784

M. W.

178.61828

CAS

6338-98-3

Similarity

N/A

ID: 287007

7-chloropyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C6H4ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD110522

Database	Data ID
PubChem	12281647

M. W.

153.56906

CAS

58347-49-2

Similarity

N/A

ID: 287008

7-chloro-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD110524
A&J Pharmtech	AJA-O1860

Database	Data ID
PubChem	246858

M. W.

196.5905

CAS

13165-35-0

Similarity

N/A

ID: 287009

7-chlorothieno[2,3-c]pyridine

$$$$ Data

M. F.

C7H4ClNS

Suppliers	Catalog Number
Bide Pharmatech	BD110526

Database	Data ID
PubChem	15914129

M. W.

169.63136

CAS

28948-58-5

Similarity

N/A

ID: 287010

7-fluoro-2-methylquinazolin-4-ol

$$$$ Data

M. F.

C9H7FN2O

Suppliers	Catalog Number
Bide Pharmatech	BD110591
A&J Pharmtech	AJA-O37782

Database	Data ID
PubChem	46835433

M. W.

178.1630832

CAS

194473-03-5

Similarity

N/A

ID: 287011

7-fluoro-1,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H5FN2O

Suppliers	Catalog Number
Bide Pharmatech	BD110613

Database	Data ID
PubChem	7018323

M. W.

164.1365032

CAS

16499-57-3

Similarity

N/A

ID: 287012

5H,6H,7H-cyclopenta[b]pyridin-7-one

$$$$ Data

M. F.

C8H7NO

Suppliers	Catalog Number
Bide Pharmatech	BD110616

Database	Data ID
PubChem	11040745

M. W.

133.14728

CAS

31170-78-2

Similarity

N/A

ID: 287013

1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one

$$$$ Data

M. F.

C5H4N4O

Suppliers	Catalog Number
Bide Pharmatech	BD110625

Database	Data ID
PubChem	83786

M. W.

136.11146

CAS

13877-55-9

Similarity

N/A

ID: 287014

7-hydroxyheptanoic acid

$$$$ Data

M. F.

C7H14O3

Suppliers	Catalog Number
Bide Pharmatech	BD110700

Database	Data ID
PubChem	138016

M. W.

146.18426

CAS

3710-42-7

Similarity

N/A

ID: 287015

7-iodo-[1,2,4]triazolo[1,5-a]pyridine

$$$$ Data

M. F.

C6H4IN3

Suppliers	Catalog Number
Bide Pharmatech	BD110711

Database	Data ID
PubChem	11536074

M. W.

245.02053

CAS

690258-25-4

Similarity

N/A

ID: 287016

7-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

$$$$ Data

M. F.

C11H9NO4

Suppliers	Catalog Number
Bide Pharmatech	BD110777
A&J Pharmtech	AJA-O4736

Database	Data ID
PubChem	13223157

M. W.

219.19346

CAS

77474-33-0

Similarity

N/A

ID: 287017

methyl 7-methyl-1H-indole-3-carboxylate

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD110823

Database	Data ID
PubChem	46311165

M. W.

189.21054

CAS

773134-49-9

Similarity

N/A

ID: 287018

7-methyl-2,3-dihydro-1,2-benzoxazol-3-one

$$$$ Data

M. F.

C8H7NO2

Suppliers	Catalog Number
Bide Pharmatech	BD110861

Database	Data ID
PubChem	2782122

M. W.

149.14668

CAS

36238-83-2

Similarity

N/A

ID: 287019

7-nitro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H5NO4

Suppliers	Catalog Number
Bide Pharmatech	BD110899
A&J Pharmtech	AJA-O5413

Database	Data ID
PubChem	22404759

M. W.

179.1296

CAS

164915-57-5

Similarity

N/A

ID: 287020

8-hydroxyquinoline-7-carbaldehyde

$$$$ Data

M. F.

C10H7NO2

Suppliers	Catalog Number
Bide Pharmatech	BD110950

Database	Data ID
PubChem	265830

M. W.

173.16808

CAS

5683-78-3

Similarity

N/A

ID: 287021

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine

$$$$ Data

M. F.

C14H20N2

Suppliers	Catalog Number
Bide Pharmatech	BD111092

Database	Data ID
PubChem	11031267

M. W.

216.322

CAS

76272-35-0

Similarity

N/A

ID: 287022

1-[8-(benzyloxy)-2-hydroxyquinolin-5-yl]-2-bromoethan-1-one

$$$$ Data

M. F.

C18H14BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD111100
A&J Pharmtech	AJA-O652

Database	Data ID
PubChem	11667867

M. W.

372.21266

CAS

100331-89-3

Similarity

N/A

ID: 287023

8-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD111131

Database	Data ID
PubChem	611192

M. W.

212.04664

CAS

7169-96-2

Similarity

N/A

ID: 287024

8-bromo-3,4-dihydro-2H-1-benzopyran-3-one

$$$$ Data

M. F.

C9H7BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD111137

Database	Data ID
PubChem	19087148

M. W.

227.05468

CAS

133118-80-6

Similarity

N/A

ID: 287025

8-bromo-6-methylquinoline

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
Bide Pharmatech	BD111155
A&J Pharmtech	AJA-O9251

Database	Data ID
PubChem	13088043

M. W.

222.08122

CAS

84839-95-2

Similarity

N/A

ID: 287026

(2R)-2-amino-2-(4-chlorophenyl)acetic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD11118

Database	Data ID
PubChem	738020

M. W.

185.60762

CAS

43189-37-3

Similarity

N/A

ID: 287027

8-bromo-2,3,6,9-tetrahydro-1H-purine-2,6-dione

$$$$ Data

M. F.

C5H3BrN4O2

Suppliers	Catalog Number
Bide Pharmatech	BD111184

Database	Data ID
PubChem	25198

M. W.

231.00692

CAS

10357-68-3

Similarity

N/A

ID: 287028

quinolin-8-ol; sulfuric acid

$$$$ Data

M. F.

C9H9NO5S

Suppliers	Catalog Number
Bide Pharmatech	BD111338

Database	Data ID
PubChem	11507008

M. W.

243.23646

CAS

134-31-6

Similarity

N/A

ID: 287029

methyl 8-hydroxyquinoline-2-carboxylate

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD111344

Database	Data ID
PubChem	12336161

M. W.

203.19406

CAS

21638-90-4

Similarity

N/A

ID: 287030

8-methoxyquinoline-2-carboxylic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD111399

Database	Data ID
PubChem	12336160

M. W.

203.19406

CAS

21141-35-5

Similarity

N/A

ID: 287031

8-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD111438

Database	Data ID
PubChem	4093214

M. W.

206.198

CAS

22246-79-3

Similarity

N/A

ID: 287032

8-nitro-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD111440

Database	Data ID
PubChem	13012494

M. W.

191.18336

CAS

58161-31-2

Similarity

N/A

ID: 287033

9,9-dichloro-9H-fluorene

$$$$ Data

M. F.

C13H8Cl2

Suppliers	Catalog Number
Bide Pharmatech	BD111594
A&J Pharmtech	AJA-O5329

Database	Data ID
PubChem	90689

M. W.

235.10862

CAS

25023-01-2

Similarity

N/A

ID: 287034

9,9-dimethyl-9H-fluorene-2,7-diol

$$$$ Data

M. F.

C15H14O2

Suppliers	Catalog Number
Bide Pharmatech	BD111601
A&J Pharmtech	AJA-O2265

Database	Data ID
PubChem	27282119

M. W.

226.27046

CAS

221010-68-0

Similarity

N/A

ID: 287035

9,9-dimethyl-9H-fluorene

$$$$ Data

M. F.

C15H14

Suppliers	Catalog Number
Bide Pharmatech	BD111603
A&J Pharmtech	AJA-O8974 AJA-O8198 AJA-O8110

Database	Data ID
PubChem	78325

M. W.

194.27166

CAS

4569-45-3

Similarity

N/A

ID: 287036

(2,6-dimethylphenyl)methanol

$$$$ Data

M. F.

C9H12O

Suppliers	Catalog Number
Bide Pharmatech	BD11339
A&J Pharmtech	AJA-O39065

Database	Data ID
PubChem	186748

M. W.

136.19098

CAS

62285-58-9

Similarity

N/A

ID: 287037

oxepane-2,7-dione

$$$$ Data

M. F.

C6H8O3

Suppliers	Catalog Number
Bide Pharmatech	BD112771

Database	Data ID
PubChem	567658

M. W.

128.12592

CAS

2035-75-8

Similarity

N/A

ID: 287038

1-nitro-2-(propan-2-yl)benzene

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD11290

Database	Data ID
PubChem	81013

M. W.

165.18914

CAS

6526-72-3

Similarity

N/A

ID: 287039

4-(2-{4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl}propan-2-yl)phenol

$$$$ Data

M. F.

C29H28O3

Suppliers	Catalog Number
Bide Pharmatech	BD113281

Database	Data ID
PubChem	634278

M. W.

424.53082

CAS

110726-28-8

Similarity

N/A

ID: 287040

4-[(3-hydroxypropyl)amino]-3-nitrophenol

$$$$ Data

M. F.

C9H12N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD11331

Database	Data ID
PubChem	5463795

M. W.

212.20258

CAS

92952-81-3

Similarity

N/A

ID: 287041

(2Z)-2-(phenylmethylidene)octanal

$$$$ Data

M. F.

C15H20O

Suppliers	Catalog Number
Bide Pharmatech	BD113478

Database	Data ID
PubChem	1715135

M. W.

216.3187

CAS

101-86-0

Similarity

N/A

ID: 287042

4-(methoxymethyl)phenol

$$$$ Data

M. F.

C8H10O2

Suppliers	Catalog Number
Bide Pharmatech	BD113511
A&J Pharmtech	AJA-O2119

Database	Data ID
PubChem	79310

M. W.

138.1638

CAS

5355-17-9

Similarity

N/A

ID: 287043

aluminium(3+) ion tris(2-aminoacetate)

$$$$ Data

M. F.

C6H15AlN3O6

Suppliers	Catalog Number
Bide Pharmatech	BD113684

Database	Data ID
PubChem	6452712

M. W.

252.181338

CAS

13682-92-3

Similarity

N/A

ID: 287044

9-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-6,9-dihydro-3H-purin-6-one

$$$$ Data

M. F.

C10H10N4O3

Suppliers	Catalog Number
Bide Pharmatech	BD111609

Database	Data ID
PubChem	452340

M. W.

234.2114

CAS

42867-68-5

Similarity

N/A

ID: 287045

3',6'-dihydroxy-4-nitro-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one

$$$$ Data

M. F.

C20H11NO7

Suppliers	Catalog Number
Bide Pharmatech	BD1117

Database	Data ID
PubChem	22505861

M. W.

377.30384

CAS

3326-35-0

Similarity

N/A

ID: 287046

9H-carbazole-3-carboxylic acid

$$$$ Data

M. F.

C13H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD111766

Database	Data ID
PubChem	3152023

M. W.

211.21606

CAS

51035-17-7

Similarity

N/A

ID: 287047

2,3-dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride

$$$$ Data

M. F.

C8H10ClNO4S

Suppliers	Catalog Number
Alfa Aesar	B20028
Bide Pharmatech	BD11210

Database	Data ID
PubChem	2808333

M. W.

251.6873

CAS

121071-71-4

Similarity

N/A

ID: 287048

2-phenoxyethyl acetate

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Bide Pharmatech	BD112128

Database	Data ID
PubChem	22568

M. W.

180.20048

CAS

6192-44-5

Similarity

N/A

ID: 287049

3-methoxybutyl acetate

$$$$ Data

M. F.

C7H14O3

Suppliers	Catalog Number
Bide Pharmatech	BD112134

Database	Data ID
PubChem	20498

M. W.

146.18426

CAS

4435-53-4

Similarity

N/A

ID: 287050

N-(4-ethoxyphenyl)-3-oxobutanamide

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Bide Pharmatech	BD112200

Database	Data ID
PubChem	61053

M. W.

221.2524

CAS

122-82-7

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