Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C19H23N3O

Suppliers	Catalog Number
Enamine	EN300-26691

Database	Data ID
PubChem	4064342

M. W.

309.40542

CAS

Similarity

N/A

ID: 253202

1-(2-methoxyethyl)imidazolidine-2,4,5-trione

$$$$ Data

M. F.

C6H8N2O4

Suppliers	Catalog Number
Enamine	EN300-26692

Database	Data ID
PubChem	16227693

M. W.

172.13872

CAS

40411-22-1

Similarity

N/A

ID: 253203

2-({[(4-fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid

$$$$ Data

M. F.

C13H17FN2O3

Suppliers	Catalog Number
Enamine	EN300-26695

Database	Data ID
PubChem	4351971

M. W.

268.2840832

CAS

Similarity

N/A

ID: 253204

2-(1-methyl-1H-imidazol-2-yl)-1-phenylethan-1-one

$$$$ Data

M. F.

C12H12N2O

Suppliers	Catalog Number
Enamine	EN300-26696

Database	Data ID
PubChem	13001470

M. W.

200.23648

CAS

52083-24-6

Similarity

N/A

ID: 253205

3-(sulfanylmethyl)benzoic acid

$$$$ Data

M. F.

C8H8O2S

Suppliers	Catalog Number
Enamine	EN300-26698

Database	Data ID
PubChem	11321189

M. W.

168.21292

CAS

Similarity

N/A

ID: 253206

ethyl 2-(cyanomethyl)-4-methylquinoline-3-carboxylate

$$$$ Data

M. F.

C15H14N2O2

Suppliers	Catalog Number
Enamine	EN300-26701

Database	Data ID
PubChem	16227694

M. W.

254.28386

CAS

Similarity

N/A

ID: 253207

(2-cyanophenyl)urea

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Enamine	EN300-26703

Database	Data ID
PubChem	13155570

M. W.

161.16068

CAS

55441-25-3

Similarity

N/A

ID: 253208

N-(4-cyanophenyl)furan-2-carboxamide

$$$$ Data

M. F.

C12H8N2O2

Suppliers	Catalog Number
Enamine	EN300-26704

Database	Data ID
PubChem	735354

M. W.

212.20412

CAS

Similarity

N/A

ID: 253209

3-(4-cyanophenyl)-1-phenylurea

$$$$ Data

M. F.

C14H11N3O

Suppliers	Catalog Number
Enamine	EN300-26705

Database	Data ID
PubChem	2812210

M. W.

237.25664

CAS

107676-58-4

Similarity

N/A

ID: 253210

N-(3-cyanophenyl)methanesulfonamide

$$$$ Data

M. F.

C8H8N2O2S

Suppliers	Catalog Number
Enamine	EN300-26706

Database	Data ID
PubChem	3696153

M. W.

196.22632

CAS

50790-30-2

Similarity

N/A

ID: 253211

4-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Enamine	EN300-26708

Database	Data ID
PubChem	16227695

M. W.

282.29396

CAS

Similarity

N/A

ID: 253212

5-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H7N3OS

Suppliers	Catalog Number
Enamine	EN300-26709

Database	Data ID
PubChem	16227696

M. W.

193.22568

CAS

Similarity

N/A

ID: 253213

2-[(2,2,2-trifluoroethyl)sulfanyl]aniline

$$$$ Data

M. F.

C8H8F3NS

Suppliers	Catalog Number
Enamine	EN300-26711

Database	Data ID
PubChem	13534559

M. W.

207.2160296

CAS

Similarity

N/A

ID: 253214

3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine

$$$$ Data

M. F.

C10H8F3N

Suppliers	Catalog Number
Enamine	EN300-26712

Database	Data ID
PubChem	16227697

M. W.

199.1724296

CAS

Similarity

N/A

ID: 253215

4-methoxy-3-(4-methoxyphenoxy)aniline

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Enamine	EN300-26714

Database	Data ID
PubChem	16227698

M. W.

245.2738

CAS

14064-97-2

Similarity

N/A

ID: 253216

6-bromo-2H-chromene-3-carboxylic acid

$$$$ Data

M. F.

C10H7BrO3

Suppliers	Catalog Number
Enamine	EN300-26717
A&J Pharmtech	AJA-O33226

Database	Data ID
PubChem	16227699

M. W.

255.06478

CAS

380607-15-8

Similarity

N/A

ID: 253217

1-[(benzylcarbamoyl)amino]cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C14H18N2O3

Suppliers	Catalog Number
Enamine	EN300-26718

Database	Data ID
PubChem	16227700

M. W.

262.30432

CAS

Similarity

N/A

ID: 253218

4-methyl-2-({[(4-methylphenyl)methyl]carbamoyl}amino)pentanoic acid

$$$$ Data

M. F.

C15H22N2O3

Suppliers	Catalog Number
Enamine	EN300-26719

Database	Data ID
PubChem	3814972

M. W.

278.34678

CAS

Similarity

N/A

ID: 253219

2,4-dichloro-3-(chloromethyl)-6-methylpyridine

$$$$ Data

M. F.

C7H6Cl3N

Suppliers	Catalog Number
Enamine	EN300-26721

Database	Data ID
PubChem	16227701

M. W.

210.48824

CAS

Similarity

N/A

ID: 253220

2-(N-methylmethanesulfonamido)benzoic acid

$$$$ Data

M. F.

C9H11NO4S

Suppliers	Catalog Number
Enamine	EN300-26724

Database	Data ID
PubChem	655752

M. W.

229.25294

CAS

Similarity

N/A

ID: 253221

6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxylic acid

$$$$ Data

M. F.

C12H12FNO3S

Suppliers	Catalog Number
Enamine	EN300-26725

Database	Data ID
PubChem	16227702

M. W.

269.2919832

CAS

Similarity

N/A

ID: 253222

(2E)-3-(quinolin-8-yl)prop-2-enoic acid

$$$$ Data

M. F.

C12H9NO2

Suppliers	Catalog Number
Enamine	EN300-26727

Database	Data ID
PubChem	16227703

M. W.

199.20536

CAS

77377-27-6

Similarity

N/A

ID: 253223

2-phenyl-1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine

$$$$ Data

M. F.

C15H14N4O

Suppliers	Catalog Number
Enamine	EN300-26728

Database	Data ID
PubChem	10378235

M. W.

266.29786

CAS

Similarity

N/A

ID: 253224

3-(2-cyanophenyl)-1-phenylurea

$$$$ Data

M. F.

C14H11N3O

Suppliers	Catalog Number
Enamine	EN300-26730

Database	Data ID
PubChem	728320

M. W.

237.25664

CAS

13114-96-0

Similarity

N/A

ID: 253225

2-[2-(4-fluorophenoxymethyl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C12H10FNO3S

Suppliers	Catalog Number
Enamine	EN300-26731

Database	Data ID
PubChem	16227704

M. W.

267.2761032

CAS

Similarity

N/A

ID: 253226

2-({imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)acetic acid

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-26732

Database	Data ID
PubChem	5144032

M. W.

222.2636

CAS

Similarity

N/A

ID: 253227

4-({6-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Enamine	EN300-26734

Database	Data ID
PubChem	16227705

M. W.

282.29396

CAS

Similarity

N/A

ID: 253228

3-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Enamine	EN300-26735

Database	Data ID
PubChem	16227706

M. W.

282.29396

CAS

Similarity

N/A

ID: 253229

3-(3-methoxypropyl)-2-sulfanyl-3H,4H-pyrido[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C11H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-26736

Database	Data ID
PubChem	3238227

M. W.

251.30482

CAS

Similarity

N/A

ID: 253230

2-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzoic acid

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Enamine	EN300-26737

Database	Data ID
PubChem	16227707

M. W.

282.29396

CAS

Similarity

N/A

ID: 253231

3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C8H11NO2S2

Suppliers	Catalog Number
Enamine	EN300-26739

Database	Data ID
PubChem	13052088

M. W.

217.30844

CAS

Similarity

N/A

ID: 253232

3-(2-methylpropyl)-2-sulfanyl-3H,4H-pyrido[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
Enamine	EN300-26740

Database	Data ID
PubChem	16227708

M. W.

235.30542

CAS

Similarity

N/A

ID: 253233

5-(chloromethyl)-3-(4-fluorophenoxymethyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C10H8ClFN2O2

Suppliers	Catalog Number
Enamine	EN300-26741

Database	Data ID
PubChem	16227709

M. W.

242.6341232

CAS

Similarity

N/A

ID: 253234

4-methyl-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-26743

Database	Data ID
PubChem	16227711

M. W.

191.22972

CAS

Similarity

N/A

ID: 253235

5-(4-bromophenyl)-1,2,4-triazin-3-amine

$$$$ Data

M. F.

C9H7BrN4

Suppliers	Catalog Number
Enamine	EN300-26746

Database	Data ID
PubChem	7176091

M. W.

251.08268

CAS

65943-30-8

Similarity

N/A

ID: 253236

(2E)-2-[(3-nitrophenyl)methylidene]cyclopentan-1-one

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Enamine	EN300-26747

Database	Data ID
PubChem	2330378

M. W.

217.22064

CAS

Similarity

N/A

ID: 253237

2-[(benzylcarbamoyl)amino]-3-methylbutanoic acid

$$$$ Data

M. F.

C13H18N2O3

Suppliers	Catalog Number
Enamine	EN300-26748

Database	Data ID
PubChem	4328293

M. W.

250.29362

CAS

Similarity

N/A

ID: 253238

4-(N-methyl4-methoxybenzenesulfonamido)butanoic acid

$$$$ Data

M. F.

C12H17NO5S

Suppliers	Catalog Number
Enamine	EN300-26749

Database	Data ID
PubChem	16227713

M. W.

287.33208

CAS

Similarity

N/A

ID: 253239

4-[(difluoromethyl)sulfanyl]benzoic acid

$$$$ Data

M. F.

C8H6F2O2S

Suppliers	Catalog Number
Enamine	EN300-26752

Database	Data ID
PubChem	13488464

M. W.

204.1938464

CAS

4837-26-7

Similarity

N/A

ID: 253240

4-(morpholine-4-carbonyl)benzonitrile

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-26753

Database	Data ID
PubChem	16071203

M. W.

216.23588

CAS

87294-97-1

Similarity

N/A

ID: 253241

6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride

$$$$ Data

M. F.

C8H5Cl2NO4S

Suppliers	Catalog Number
Enamine	EN300-26754

Database	Data ID
PubChem	16228476

M. W.

282.1006

CAS

Similarity

N/A

ID: 253242

4-(morpholine-4-sulfonyl)benzonitrile

$$$$ Data

M. F.

C11H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-26756

Database	Data ID
PubChem	4132823

M. W.

252.28958

CAS

Similarity

N/A

ID: 253243

3-[(2-nitrophenyl)amino]propanoic acid

$$$$ Data

M. F.

C9H10N2O4

Suppliers	Catalog Number
Enamine	EN300-26757

Database	Data ID
PubChem	3090203

M. W.

210.1867

CAS

38584-58-6

Similarity

N/A

ID: 253244

4-cyano-N-cyclopropylbenzamide

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Enamine	EN300-26758

Database	Data ID
PubChem	5004786

M. W.

186.2099

CAS

Similarity

N/A

ID: 253245

2-cyclopropyl-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C10H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-26759

Database	Data ID
PubChem	16227714

M. W.

224.27948

CAS

Similarity

N/A

ID: 253246

2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Enamine	EN300-26761

Database	Data ID
PubChem	3611062

M. W.

161.20374

CAS

112581-74-5

Similarity

N/A

ID: 253247

1-{2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-26762

Database	Data ID
PubChem	639252

M. W.

189.21384

CAS

130506-85-3

Similarity

N/A

ID: 253248

3,4-diamino-N,N-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H13N3O2S

Suppliers	Catalog Number
Enamine	EN300-26768

Database	Data ID
PubChem	3116507

M. W.

215.27272

CAS

57824-30-3

Similarity

N/A

ID: 253249

2-cyclopropyl-4-methyl-6-sulfanylpyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C9H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-26770

Database	Data ID
PubChem	16227717

M. W.

210.2529

CAS

Similarity

N/A

ID: 253250

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile

$$$$ Data

M. F.

C9H8F3NO2

Suppliers	Catalog Number
Enamine	EN300-26772

Database	Data ID
PubChem	16227718

M. W.

219.1605296

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