Chembase list of 866358 unique molecular structures

N-(4-methyl-3-nitrophenyl)methanesulfonamide

$$$$ Data

M. F.

C8H10N2O4S

Suppliers	Catalog Number
Bide Pharmatech	BD226909

Database	Data ID
PubChem	2796678

M. W.

230.241

CAS

80259-08-1

Similarity

N/A

ID: 289952

ethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate

$$$$ Data

M. F.

C7H10N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD226912

Database	Data ID
PubChem	4054636

M. W.

170.1659

CAS

92087-97-3

Similarity

N/A

ID: 289953

2-(2,3-dihydro-1H-indole-1-carbonyl)aniline

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
Bide Pharmatech	BD226913

Database	Data ID
PubChem	577461

M. W.

238.28446

CAS

21859-87-0

Similarity

N/A

ID: 289954

N-[(2-methoxyphenyl)methyl]pyridin-2-amine

$$$$ Data

M. F.

C13H14N2O

Suppliers	Catalog Number
Bide Pharmatech	BD226915

Database	Data ID
PubChem	40457291

M. W.

214.26306

CAS

856855-87-3

Similarity

N/A

ID: 289955

(2S,3S)-2,3-bis(benzoyloxy)butanedioic acid hydrate

$$$$ Data

M. F.

C18H16O9

Suppliers	Catalog Number
Bide Pharmatech	BD22692

Database	Data ID
PubChem	11667949

M. W.

376.31424

CAS

80822-15-7

Similarity

N/A

ID: 289956

3-[(4-methanesulfonylpiperazin-1-yl)methyl]aniline

$$$$ Data

M. F.

C12H19N3O2S

Suppliers	Catalog Number
Bide Pharmatech	BD226920

Database	Data ID
PubChem	53302353

M. W.

269.36316

CAS

925920-75-8

Similarity

N/A

ID: 289957

N-[(3-fluorophenyl)methyl]formamide

$$$$ Data

M. F.

C8H8FNO

Suppliers	Catalog Number
Bide Pharmatech	BD226921

Database	Data ID
PubChem	10654422

M. W.

153.1536232

CAS

180207-86-7

Similarity

N/A

ID: 289958

(2E)-3-(3-iodophenyl)prop-2-enoic acid

$$$$ Data

M. F.

C9H7IO2

Suppliers	Catalog Number
Bide Pharmatech	BD226922

Database	Data ID
PubChem	17389933

M. W.

274.05515

CAS

41070-12-6

Similarity

N/A

ID: 289959

4-hydroxy-2,3,5,6,7,8-hexahydroquinolin-2-one

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD226935

Database	Data ID
PubChem	73994930

M. W.

165.18914

CAS

56517-59-0

Similarity

N/A

ID: 289960

5-bromo-2-iodo-3-methoxypyrazine

$$$$ Data

M. F.

C5H4BrIN2O

Suppliers	Catalog Number
Bide Pharmatech	BD226959

Database	Data ID
PubChem	11151182

M. W.

314.90653

CAS

476622-89-6

Similarity

N/A

ID: 289961

(2S)-3-hydroxy-2-[(triphenylmethyl)amino]propanoic acid; triethylamine

$$$$ Data

M. F.

C28H36N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD226974

Database	Data ID
PubChem	13943567

M. W.

448.59704

CAS

111061-44-0

Similarity

N/A

ID: 289962

1-methylcyclopropane-1-carboxamide

$$$$ Data

M. F.

C5H9NO

Suppliers	Catalog Number
Bide Pharmatech	BD227157

Database	Data ID
PubChem	13002936

M. W.

99.13106

CAS

15910-91-5

Similarity

N/A

ID: 289963

[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

$$$$ Data

M. F.

C6H7F3N2O

Suppliers	Catalog Number
Bide Pharmatech	BD227158

Database	Data ID
PubChem	21039553

M. W.

180.1277896

CAS

540468-96-0

Similarity

N/A

ID: 289964

5-chlorothiophen-2-amine hydrochloride

$$$$ Data

M. F.

C4H5Cl2NS

Suppliers	Catalog Number
Bide Pharmatech	BD227159

Database	Data ID
PubChem	66570662

M. W.

170.0602

CAS

1070886-43-9

Similarity

N/A

ID: 289965

tert-butyl N-(5-chlorothiophen-2-yl)carbamate

$$$$ Data

M. F.

C9H12ClNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD227160

Database	Data ID
PubChem	11601095

M. W.

233.71508

CAS

63806-71-3

Similarity

N/A

ID: 289966

methyl 1-benzylcyclopentane-1-carboxylate

$$$$ Data

M. F.

C14H18O2

Suppliers	Catalog Number
Bide Pharmatech	BD227162

Database	Data ID
PubChem	66570683

M. W.

218.29152

CAS

784182-12-3

Similarity

N/A

ID: 289967

ethyl 1-benzylcyclobutane-1-carboxylate

$$$$ Data

M. F.

C14H18O2

Suppliers	Catalog Number
Bide Pharmatech	BD227163

Database	Data ID
PubChem	15632049

M. W.

218.29152

CAS

114672-01-4

Similarity

N/A

ID: 289968

1-(5-fluoropyrimidin-2-yl)ethan-1-one

$$$$ Data

M. F.

C6H5FN2O

Suppliers	Catalog Number
Bide Pharmatech	BD227164

Database	Data ID
PubChem	50994815

M. W.

140.1151032

CAS

905587-44-2

Similarity

N/A

ID: 289969

1-(5-fluoropyrimidin-2-yl)ethan-1-ol

$$$$ Data

M. F.

C6H7FN2O

Suppliers	Catalog Number
Bide Pharmatech	BD227165

Database	Data ID
PubChem	66570653

M. W.

142.1309832

CAS

905587-43-1

Similarity

N/A

ID: 289970

3,3-dimethoxy-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD227167

Database	Data ID
PubChem	15480745

M. W.

193.19924

CAS

66346-69-8

Similarity

N/A

ID: 289971

quinoxaline-6-carboxamide

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Bide Pharmatech	BD227169
A&J Pharmtech	AJA-O7875 AJA-O8746

Database	Data ID
PubChem	11240756

M. W.

173.17138

CAS

457882-95-0

Similarity

N/A

ID: 289972

({[(tert-butoxy)carbonyl]amino}amino)(cyclopropyl)methanone

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD227174

Database	Data ID
PubChem	53535736

M. W.

200.23494

CAS

851295-78-8

Similarity

N/A

ID: 289973

1,6-dimethyl 2,5-dibromohexanedioate

$$$$ Data

M. F.

C8H12Br2O4

Suppliers	Catalog Number
Bide Pharmatech	BD227176

Database	Data ID
PubChem	136669

M. W.

331.98648

CAS

868-72-4

Similarity

N/A

ID: 289974

1-phenylpiperidin-3-ol

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Bide Pharmatech	BD227181
A&J Pharmtech	AJA-O12293

Database	Data ID
PubChem	12868314

M. W.

177.2429

CAS

80710-25-4

Similarity

N/A

ID: 289975

1-methyl-4-{[4-nitro-2-(trifluoromethyl)phenyl]methyl}piperazine

$$$$ Data

M. F.

C13H16F3N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD227182

Database	Data ID
PubChem	46838906

M. W.

303.2802496

CAS

694499-24-6

Similarity

N/A

ID: 289976

methyl 3-(trifluoroacetamido)thiophene-2-carboxylate

$$$$ Data

M. F.

C8H6F3NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD227184

Database	Data ID
PubChem	2805185

M. W.

253.1983496

CAS

79128-68-0

Similarity

N/A

ID: 289977

N-(2,3-dimethyl-6-nitrophenyl)acetamide

$$$$ Data

M. F.

C10H12N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD227186

Database	Data ID
PubChem	5066538

M. W.

208.21388

CAS

138330-47-9

Similarity

N/A

ID: 289978

2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide

$$$$ Data

M. F.

C13H12ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD227187

Database	Data ID
PubChem	21906241

M. W.

277.70628

CAS

280773-17-3

Similarity

N/A

ID: 289979

3-chloro-2-nitrophenol

$$$$ Data

M. F.

C6H4ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD227189

Database	Data ID
PubChem	13622170

M. W.

173.55386

CAS

17802-02-7

Similarity

N/A

ID: 289980

2-bromo-6-methoxybenzonitrile

$$$$ Data

M. F.

C8H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD227190
A&J Pharmtech	AJA-O9686

Database	Data ID
PubChem	46941314

M. W.

212.04334

CAS

1245647-50-0

Similarity

N/A

ID: 289981

1-benzyl-4-(chloromethyl)benzene

$$$$ Data

M. F.

C14H13Cl

Suppliers	Catalog Number
Bide Pharmatech	BD227191

Database	Data ID
PubChem	84334

M. W.

216.70602

CAS

14297-39-3

Similarity

N/A

ID: 289982

1-(4-chlorobutyl)-4-fluorobenzene

$$$$ Data

M. F.

C10H12ClF

Suppliers	Catalog Number
Bide Pharmatech	BD227192

Database	Data ID
PubChem	3016889

M. W.

186.6536832

CAS

54540-58-8

Similarity

N/A

ID: 289983

[(3S)-1-benzylpyrrolidin-3-yl]methanol

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Bide Pharmatech	BD227193

Database	Data ID
PubChem	1514331

M. W.

191.26948

CAS

78914-69-9

Similarity

N/A

ID: 289984

2-(5-chloro-2-nitrophenyl)acetic acid

$$$$ Data

M. F.

C8H6ClNO4

Suppliers	Catalog Number
Bide Pharmatech	BD227195

Database	Data ID
PubChem	597995

M. W.

215.59054

CAS

22908-28-7

Similarity

N/A

ID: 289985

tert-butyl N-[1-(3-bromophenyl)ethyl]carbamate

$$$$ Data

M. F.

C13H18BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD227196
A&J Pharmtech	AJA-O10004 AJA-O13503

Database	Data ID
PubChem	20744379

M. W.

300.19152

CAS

375853-98-8

Similarity

N/A

ID: 289986

2-(2-aminoethoxy)pyridine

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD227197
A&J Pharmtech	AJA-O38978

Database	Data ID
PubChem	96890

M. W.

138.1671

CAS

29450-07-5

Similarity

N/A

ID: 289987

1-bromo-2-chloro-4-ethoxybenzene

$$$$ Data

M. F.

C8H8BrClO

Suppliers	Catalog Number
Bide Pharmatech	BD227199

Database	Data ID
PubChem	22735623

M. W.

235.50552

CAS

313545-43-6

Similarity

N/A

ID: 289988

1-chloro-2-fluoro-5-iodo-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H2ClF4I

Suppliers	Catalog Number
Bide Pharmatech	BD227201

Database	Data ID
PubChem	66570715

M. W.

324.4418628

CAS

928783-87-3

Similarity

N/A

ID: 289989

ethyl 2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylate

$$$$ Data

M. F.

C16H16N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD227202

Database	Data ID
PubChem	59800135

M. W.

296.32384

CAS

916486-06-1

Similarity

N/A

ID: 289990

(2,5-difluorophenyl)(3-nitrophenyl)methanone

$$$$ Data

M. F.

C13H7F2NO3

Suppliers	Catalog Number
Bide Pharmatech	BD227203

Database	Data ID
PubChem	58460937

M. W.

263.1963864

CAS

1193512-72-9

Similarity

N/A

ID: 289991

N,N-dimethyl-4-(4-methylphenyl)-4-oxobutanamide

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Bide Pharmatech	BD227204

Database	Data ID
PubChem	9877834

M. W.

219.27958

CAS

402470-91-1

Similarity

N/A

ID: 289992

3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic...

$$$$ Data

M. F.

C14H14Cl2O2

Suppliers	Catalog Number
Bide Pharmatech	BD227206

Database	Data ID
PubChem	12892961

M. W.

285.16576

CAS

88419-72-1

Similarity

N/A

ID: 289993

3-benzyl-6-hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD227207

Database	Data ID
PubChem	16734939

M. W.

282.29396

CAS

808793-56-8

Similarity

N/A

ID: 289994

benzyl N-[5-(hydroxyamino)pentyl]carbamate

$$$$ Data

M. F.

C13H20N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD227209

Database	Data ID
PubChem	10944908

M. W.

252.3095

CAS

91905-05-4

Similarity

N/A

ID: 289995

2-fluoro-1,3-dimethyl-5-nitrobenzene

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Bide Pharmatech	BD227211

Database	Data ID
PubChem	11367232

M. W.

169.1530232

CAS

1736-85-2

Similarity

N/A

ID: 289996

1-(4-ethylphenyl)-3-fluorobenzene

$$$$ Data

M. F.

C14H13F

Suppliers	Catalog Number
Bide Pharmatech	BD227212

Database	Data ID
PubChem	21432917

M. W.

200.2514232

CAS

948043-99-0

Similarity

N/A

ID: 289997

phenyl N-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate

$$$$ Data

M. F.

C23H23N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD227213

Database	Data ID
PubChem	1317528

M. W.

389.44702

CAS

184177-81-9

Similarity

N/A

ID: 289998

methyl 3-iodo-2-methylbenzoate

$$$$ Data

M. F.

C9H9IO2

Suppliers	Catalog Number
Bide Pharmatech	BD227225

Database	Data ID
PubChem	15656853

M. W.

276.07103

CAS

52570-33-9

Similarity

N/A

ID: 289999

1-bromo-2-fluoro-4-propylbenzene

$$$$ Data

M. F.

C9H10BrF

Suppliers	Catalog Number
Bide Pharmatech	BD227228

Database	Data ID
PubChem	4286314

M. W.

217.0781032

CAS

167858-56-2

Similarity

N/A

ID: 290000

1-bromo-4-ethyl-2-fluorobenzene

$$$$ Data

M. F.

C8H8BrF

Suppliers	Catalog Number
Bide Pharmatech	BD227229

Database	Data ID
PubChem	66570675

M. W.

203.0515232

CAS

928304-44-3

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