Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H15NO4S

Suppliers	Catalog Number
Enamine	EN300-10858
Bide Pharmatech	BD239821

Database	Data ID
PubChem	2117579

M. W.

257.3061

CAS

222409-98-5

Similarity

N/A

ID: 238702

2-phenylpyrimidin-4-amine

$$$$ Data

M. F.

C10H9N3

Suppliers	Catalog Number
Enamine	EN300-108580

Database	Data ID
PubChem	12403617

M. W.

171.19856

CAS

Similarity

N/A

ID: 238703

(4-amino-2-methoxyphenyl)urea

$$$$ Data

M. F.

C8H11N3O2

Suppliers	Catalog Number
Enamine	EN300-108581

Database	Data ID
PubChem	16775032

M. W.

181.19184

CAS

Similarity

N/A

ID: 238704

4-methanesulfonylbutan-2-amine

$$$$ Data

M. F.

C5H13NO2S

Suppliers	Catalog Number
Enamine	EN300-108582

Database	Data ID
PubChem	23562465

M. W.

151.22722

CAS

Similarity

N/A

ID: 238705

3-(pyrrolidin-3-yloxy)pyridine

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Enamine	EN300-108586

Database	Data ID
PubChem	10154205

M. W.

164.20438

CAS

Similarity

N/A

ID: 238706

2-amino-4,6-dimethylpyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C7H9N3O2

Suppliers	Catalog Number
Enamine	EN300-108587

Database	Data ID
PubChem	53416435

M. W.

167.16526

CAS

Similarity

N/A

ID: 238707

2-methyl-3-[(propan-2-yl)amino]benzoic acid

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Enamine	EN300-108588

Database	Data ID
PubChem	43737351

M. W.

193.2423

CAS

Similarity

N/A

ID: 238708

2-(6-methylpyridazin-3-yl)acetonitrile

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Enamine	EN300-108589

Database	Data ID
PubChem	63204030

M. W.

133.15058

CAS

Similarity

N/A

ID: 238709

3-(ethylsulfamoyl)benzoic acid

$$$$ Data

M. F.

C9H11NO4S

Suppliers	Catalog Number
Enamine	EN300-10859

Database	Data ID
PubChem	52267

M. W.

229.25294

CAS

7326-74-1

Similarity

N/A

ID: 238710

5,5-dioxo-4H,6H,7H-1,5λ⁶-thieno[3,2-c][1λ⁶]thiopyran-2-c...

$$$$ Data

M. F.

C8H8O4S2

Suppliers	Catalog Number
Enamine	EN300-108590

Database	Data ID
PubChem	61563108

M. W.

232.27672

CAS

Similarity

N/A

ID: 238711

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

$$$$ Data

M. F.

C9H6BrNO4

Suppliers	Catalog Number
Enamine	EN300-108591

Database	Data ID
PubChem	71756221

M. W.

272.05224

CAS

Similarity

N/A

ID: 238712

(4-cyclohexylphenyl)methanol

$$$$ Data

M. F.

C13H18O

Suppliers	Catalog Number
Enamine	EN300-108592

Database	Data ID
PubChem	22492024

M. W.

190.28142

CAS

Similarity

N/A

ID: 238713

N-phenylpiperidin-3-amine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
ChemBridge	28178001
Enamine	EN300-108593

Database	Data ID
PubChem	3504419

M. W.

176.25814

CAS

Similarity

N/A

ID: 238714

2,2,2-trifluoro-1-{1-[tris(propan-2-yl)silyl]-1H-pyrrol-3-yl}ethan-1-one

$$$$ Data

M. F.

C15H24F3NOSi

Suppliers	Catalog Number
Enamine	EN300-108595

Database	Data ID
PubChem	14890894

M. W.

319.4378696

CAS

Similarity

N/A

ID: 238715

4-ethyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

$$$$ Data

M. F.

C9H17ClN4O

Suppliers	Catalog Number
Enamine	EN300-108596

Database	Data ID
PubChem	71756222

M. W.

232.71048

CAS

Similarity

N/A

ID: 238716

3-(1-ethyl-1H-imidazol-2-yl)aniline

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-108597

Database	Data ID
PubChem	23009408

M. W.

187.24102

CAS

Similarity

N/A

ID: 238717

methyl[2-(propan-2-yloxy)ethyl]amine

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Enamine	EN300-108598

Database	Data ID
PubChem	21307263

M. W.

117.1894

CAS

Similarity

N/A

ID: 238718

2-(1-chloroethyl)-4-ethyl-5-phenyl-1,3-oxazole

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Enamine	EN300-108599

Database	Data ID
PubChem	43144275

M. W.

235.70936

CAS

Similarity

N/A

ID: 238719

2-(2-chloro-4-methylphenyl)acetic acid

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Enamine	EN300-108600

Database	Data ID
PubChem	18684688

M. W.

184.61956

CAS

Similarity

N/A

ID: 238720

5-chloro-6-hydrazinylpyridazin-4-amine

$$$$ Data

M. F.

C4H6ClN5

Suppliers	Catalog Number
Enamine	EN300-108601

Database	Data ID
PubChem	14132987

M. W.

159.57694

CAS

Similarity

N/A

ID: 238721

1-(propan-2-yl)imidazolidine-2,4,5-trione

$$$$ Data

M. F.

C6H8N2O3

Suppliers	Catalog Number
Enamine	EN300-10861

Database	Data ID
PubChem	2492732

M. W.

156.13932

CAS

40408-39-7

Similarity

N/A

ID: 238722

2-[3-(chlorosulfonyl)-4,5-dimethoxyphenyl]acetic acid

$$$$ Data

M. F.

C10H11ClO6S

Suppliers	Catalog Number
Enamine	EN300-108610

Database	Data ID
PubChem	71756224

M. W.

294.70874

CAS

Similarity

N/A

ID: 238723

2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one

$$$$ Data

M. F.

C10H14O2

Suppliers	Catalog Number
Enamine	EN300-108619

Database	Data ID
PubChem	23381567

M. W.

166.21696

CAS

Similarity

N/A

ID: 238724

2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}acetohydrazide

$$$$ Data

M. F.

C13H19ClN4O

Suppliers	Catalog Number
Enamine	EN300-108621

Database	Data ID
PubChem	16637099

M. W.

282.76916

CAS

Similarity

N/A

ID: 238725

4-(2-methylbutan-2-yl)benzoic acid

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Enamine	EN300-108626

Database	Data ID
PubChem	8167144

M. W.

192.25424

CAS

Similarity

N/A

ID: 238726

3-[(furan-2-ylmethyl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C12H11NO5S

Suppliers	Catalog Number
Enamine	EN300-10864

Database	Data ID
PubChem	972732

M. W.

281.28444

CAS

Similarity

N/A

ID: 238727

4-chloro-2-(chloromethyl)-6-(propan-2-yl)pyrimidine

$$$$ Data

M. F.

C8H10Cl2N2

Suppliers	Catalog Number
Enamine	EN300-108647

Database	Data ID
PubChem	71685901

M. W.

205.0844

CAS

Similarity

N/A

ID: 238728

4-[2-(trifluoromethyl)phenyl]piperidine hydrochloride

$$$$ Data

M. F.

C12H15ClF3N

Suppliers	Catalog Number
Enamine	EN300-108648
Bide Pharmatech	BD32892

Database	Data ID
PubChem	21936970

M. W.

265.7024096

CAS

255051-14-0

Similarity

N/A

ID: 238729

tricyclo[4.2.1.0²,⁵]nonan-3-one

$$$$ Data

M. F.

C9H12O

Suppliers	Catalog Number
Enamine	EN300-108649

Database	Data ID
PubChem	12483679

M. W.

136.19098

CAS

Similarity

N/A

ID: 238730

1-cyclopentanecarbonylpyrrolidin-3-amine

$$$$ Data

M. F.

C10H18N2O

Suppliers	Catalog Number
Enamine	EN300-108650

Database	Data ID
PubChem	59657950

M. W.

182.26272

CAS

Similarity

N/A

ID: 238731

1-[4-(1-aminoethyl)phenyl]-3,3-diethylurea hydrochloride

$$$$ Data

M. F.

C13H22ClN3O

Suppliers	Catalog Number
Enamine	EN300-108651

Database	Data ID
PubChem	71756225

M. W.

271.78628

CAS

Similarity

N/A

ID: 238732

N-(pyridin-3-yl)piperidine-4-carboxamide dihydrochloride

$$$$ Data

M. F.

C11H17Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-108653

Database	Data ID
PubChem	71756226

M. W.

278.17818

CAS

Similarity

N/A

ID: 238733

2-(morpholin-4-yl)cyclohexan-1-amine

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Enamine	EN300-108654

Database	Data ID
PubChem	12447267

M. W.

184.2786

CAS

Similarity

N/A

ID: 238734

4-(5,6-difluoro-1H-1,3-benzodiazol-2-yl)aniline

$$$$ Data

M. F.

C13H9F2N3

Suppliers	Catalog Number
Enamine	EN300-108655

Database	Data ID
PubChem	43470879

M. W.

245.2274664

CAS

Similarity

N/A

ID: 238735

1-tert-butyl-4-iodo-1H-pyrazole

$$$$ Data

M. F.

C7H11IN2

Suppliers	Catalog Number
Enamine	EN300-108656

Database	Data ID
PubChem	60136645

M. W.

250.08011

CAS

Similarity

N/A

ID: 238736

1-[(4-bromophenyl)methyl]piperidin-4-amine

$$$$ Data

M. F.

C12H17BrN2

Suppliers	Catalog Number
Enamine	EN300-108658

Database	Data ID
PubChem	23312456

M. W.

269.18078

CAS

Similarity

N/A

ID: 238737

N-hydroxy2-aminopentanimidic acid

$$$$ Data

M. F.

C5H12N2O2

Suppliers	Catalog Number
Enamine	EN300-108659

Database	Data ID
PubChem	5056756

M. W.

132.16098

CAS

Similarity

N/A

ID: 238738

3,4-dihydro-2H-1,5-benzodioxepine-7-thiol

$$$$ Data

M. F.

C9H10O2S

Suppliers	Catalog Number
Enamine	EN300-10866

Database	Data ID
PubChem	3556879

M. W.

182.2395

CAS

Similarity

N/A

ID: 238739

1-(pyridine-3-carbonyl)pyrrolidin-3-amine

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-108660

Database	Data ID
PubChem	59657830

M. W.

191.22972

CAS

Similarity

N/A

ID: 238740

4-(2,2-diethoxyethyl)aniline

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
Enamine	EN300-108661

Database	Data ID
PubChem	71756227

M. W.

209.28476

CAS

Similarity

N/A

ID: 238741

3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid

$$$$ Data

M. F.

C5H7N3O3

Suppliers	Catalog Number
Enamine	EN300-108662

Database	Data ID
PubChem	60179905

M. W.

157.12738

CAS

Similarity

N/A

ID: 238742

4-(3-bromophenoxy)pyridine-2-carboxylic acid hydrochloride

$$$$ Data

M. F.

C12H9BrClNO3

Suppliers	Catalog Number
Enamine	EN300-108666

Database	Data ID
PubChem	71756228

M. W.

330.56176

CAS

Similarity

N/A

ID: 238743

1-(4-propylbenzenesulfonyl)piperazine

$$$$ Data

M. F.

C13H20N2O2S

Suppliers	Catalog Number
Enamine	EN300-10867

Database	Data ID
PubChem	2492743

M. W.

268.3751

CAS

Similarity

N/A

ID: 238744

1-methyl-1H-1,2,4-triazol-5-amine

$$$$ Data

M. F.

C3H6N4

Suppliers	Catalog Number
Enamine	EN300-108670

Database	Data ID
PubChem	566597

M. W.

98.10654

CAS

Similarity

N/A

ID: 238745

3-(1-propyl-1H-imidazol-2-yl)aniline

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Enamine	EN300-108671

Database	Data ID
PubChem	60814007

M. W.

201.2676

CAS

Similarity

N/A

ID: 238746

cyclopentyl(2-fluorophenyl)methanone

$$$$ Data

M. F.

C12H13FO

Suppliers	Catalog Number
Enamine	EN300-108672

Database	Data ID
PubChem	13771614

M. W.

192.2294232

CAS

Similarity

N/A

ID: 238747

2-(4-cyanobenzenesulfonamido)propanoic acid

$$$$ Data

M. F.

C10H10N2O4S

Suppliers	Catalog Number
Enamine	EN300-108673

Database	Data ID
PubChem	43080764

M. W.

254.2624

CAS

Similarity

N/A

ID: 238748

methyl 5-amino-2-(thiophen-2-yl)-1,3-oxazole-4-carboxylate

$$$$ Data

M. F.

C9H8N2O3S

Suppliers	Catalog Number
Enamine	EN300-108674

Database	Data ID
PubChem	49756498

M. W.

224.23642

CAS

Similarity

N/A

ID: 238749

1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-108676

Database	Data ID
PubChem	46204451

M. W.

174.2025

CAS

Similarity

N/A

ID: 238750

1-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-108677

Database	Data ID
PubChem	71756229

M. W.

174.2025

CAS

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