Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Enamine	EN300-84248

Database	Data ID
PubChem	54594916

M. W.

156.22544

CAS

Similarity

N/A

ID: 278552

7-bromo-2-methyl-3H-imidazo[4,5-c]pyridine

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Enamine	EN300-84250

Database	Data ID
PubChem	17750136

M. W.

212.04664

CAS

Similarity

N/A

ID: 278553

7-bromo-3H-imidazo[4,5-c]pyridine-2-thiol

$$$$ Data

M. F.

C6H4BrN3S

Suppliers	Catalog Number
Enamine	EN300-84251

Database	Data ID
PubChem	14089261

M. W.

230.08506

CAS

Similarity

N/A

ID: 278554

3-(aminomethyl)-N,N-dimethylcinnolin-4-amine

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
Enamine	EN300-84255

Database	Data ID
PubChem	54594917

M. W.

202.25566

CAS

Similarity

N/A

ID: 278555

N-amino-4-fluoropyridine-2-carboximidamide

$$$$ Data

M. F.

C6H7FN4

Suppliers	Catalog Number
Enamine	EN300-84256

Database	Data ID
PubChem	54594918

M. W.

154.1449832

CAS

Similarity

N/A

ID: 278556

N-amino-4-bromopyridine-2-carboximidamide

$$$$ Data

M. F.

C6H7BrN4

Suppliers	Catalog Number
Enamine	EN300-84257

Database	Data ID
PubChem	54594919

M. W.

215.05058

CAS

Similarity

N/A

ID: 278557

4-(3-aminopropyl)-4,5-dihydro-1,2-oxazol-5-one

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
Enamine	EN300-84258

Database	Data ID
PubChem	54594920

M. W.

142.1558

CAS

Similarity

N/A

ID: 278558

1H-1,3-benzodiazole-5-carbonitrile

$$$$ Data

M. F.

C8H5N3

Suppliers	Catalog Number
ChemBridge	4031566
Enamine	EN300-84260
A&J Pharmtech	AJA-O28939

Database	Data ID
PubChem	223906

M. W.

143.1454

CAS

6287-83-8

Similarity

N/A

ID: 278559

5-chloro-4-(2-chloroethyl)-3-methyl-1H-pyrazole-1-carbothioamide

$$$$ Data

M. F.

C7H9Cl2N3S

Suppliers	Catalog Number
Enamine	EN300-84262

Database	Data ID
PubChem	54594921

M. W.

238.13746

CAS

Similarity

N/A

ID: 278560

5,6,7,8-tetrahydroquinoline-2-carboxylic acid

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Enamine	EN300-84271

Database	Data ID
PubChem	21894654

M. W.

177.19984

CAS

Similarity

N/A

ID: 278561

(5-amino-2,4-dimethylphenyl)methanol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-84272

Database	Data ID
PubChem	54594922

M. W.

151.20562

CAS

Similarity

N/A

ID: 278562

pentafluorophenyl quinoline-4-sulfonate

$$$$ Data

M. F.

C15H6F5NO3S

Suppliers	Catalog Number
Enamine	EN300-84274

Database	Data ID
PubChem	54594923

M. W.

375.270056

CAS

Similarity

N/A

ID: 278563

[2-(3-methanesulfonylphenoxy)pyridin-3-yl]methanamine

$$$$ Data

M. F.

C13H14N2O3S

Suppliers	Catalog Number
Enamine	EN300-84281

Database	Data ID
PubChem	43806815

M. W.

278.32686

CAS

Similarity

N/A

ID: 278564

4-bromopyridazine-3,6-diol

$$$$ Data

M. F.

C4H3BrN2O2

Suppliers	Catalog Number
Enamine	EN300-84297

Database	Data ID
PubChem	254942

M. W.

190.98282

CAS

Similarity

N/A

ID: 278565

3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl)propanoic acid

$$$$ Data

M. F.

C12H14O6S

Suppliers	Catalog Number
Enamine	EN300-84299

Database	Data ID
PubChem	16775221

M. W.

286.30096

CAS

Similarity

N/A

ID: 278566

N,1-dimethyl-1H-pyrazol-4-amine hydrochloride

$$$$ Data

M. F.

C5H10ClN3

Suppliers	Catalog Number
Enamine	EN300-84300

Database	Data ID
PubChem	53626279

M. W.

147.606

CAS

Similarity

N/A

ID: 278567

tert-butyl 4-[(3-methylphenyl)amino]piperidine-1-carboxylate

$$$$ Data

M. F.

C17H26N2O2

Suppliers	Catalog Number
Enamine	EN300-84301

Database	Data ID
PubChem	21352609

M. W.

290.40054

CAS

Similarity

N/A

ID: 278568

N-benzyl-N-cyclopropylpiperidine-4-carboxamide hydrochloride

$$$$ Data

M. F.

C16H23ClN2O

Suppliers	Catalog Number
Enamine	EN300-84302

Database	Data ID
PubChem	53535660

M. W.

294.81962

CAS

Similarity

N/A

ID: 278569

4-(aminomethyl)-4-hydroxy-1λ⁶-thiane-1,1-dione

$$$$ Data

M. F.

C6H13NO3S

Suppliers	Catalog Number
Enamine	EN300-84303

Database	Data ID
PubChem	53536954

M. W.

179.23732

CAS

Similarity

N/A

ID: 278570

2-(2-aminobutan-2-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one hydrochloride

$$$$ Data

M. F.

C12H20ClN3O

Suppliers	Catalog Number
Enamine	EN300-84304

Database	Data ID
PubChem	53626511

M. W.

257.7597

CAS

Similarity

N/A

ID: 278571

decahydro-1H-pyrrolo[3,4-a]indolizine

$$$$ Data

M. F.

C10H18N2

Suppliers	Catalog Number
Enamine	EN300-84305

Database	Data ID
PubChem	54594924

M. W.

166.26332

CAS

Similarity

N/A

ID: 278572

2-(3-methylphenyl)propan-1-amine

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Enamine	EN300-84306

Database	Data ID
PubChem	20251978

M. W.

149.2328

CAS

Similarity

N/A

ID: 278573

7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
Enamine	EN300-84307

Database	Data ID
PubChem	54594925

M. W.

141.2108

CAS

Similarity

N/A

ID: 278574

1-[(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid

$$$$ Data

M. F.

C11H20N2O3

Suppliers	Catalog Number
Enamine	EN300-84308

Database	Data ID
PubChem	43135691

M. W.

228.2881

CAS

Similarity

N/A

ID: 278575

2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}acetic acid

$$$$ Data

M. F.

C8H14O4S

Suppliers	Catalog Number
Enamine	EN300-84309

Database	Data ID
PubChem	43241551

M. W.

206.25936

CAS

Similarity

N/A

ID: 278576

3-(2-bromophenyl)propanenitrile

$$$$ Data

M. F.

C9H8BrN

Suppliers	Catalog Number
Enamine	EN300-84311

Database	Data ID
PubChem	13308298

M. W.

210.07052

CAS

Similarity

N/A

ID: 278577

1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-1H-pyrazol-4-amine

$$$$ Data

M. F.

C12H13N5

Suppliers	Catalog Number
Enamine	EN300-84312

Database	Data ID
PubChem	53536980

M. W.

227.26512

CAS

Similarity

N/A

ID: 278578

4-(4-tert-butylphenoxy)-3-fluorobenzoic acid

$$$$ Data

M. F.

C17H17FO3

Suppliers	Catalog Number
Enamine	EN300-84313

Database	Data ID
PubChem	30055231

M. W.

288.3134832

CAS

Similarity

N/A

ID: 278579

2-(chloromethyl)-N,N-dimethylaniline hydrochloride

$$$$ Data

M. F.

C9H13Cl2N

Suppliers	Catalog Number
Enamine	EN300-84314

Database	Data ID
PubChem	13537426

M. W.

206.11222

CAS

Similarity

N/A

ID: 278580

2-(pyrimidin-5-yl)benzoic acid

$$$$ Data

M. F.

C11H8N2O2

Suppliers	Catalog Number
Enamine	EN300-84315

Database	Data ID
PubChem	53626257

M. W.

200.19342

CAS

Similarity

N/A

ID: 278581

2-amino-N-(2-hydroxyethyl)benzamide

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Enamine	EN300-84316

Database	Data ID
PubChem	3016484

M. W.

180.20378

CAS

Similarity

N/A

ID: 278582

3-(cyclohexylmethoxy)-4-methylaniline

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
Enamine	EN300-84317

Database	Data ID
PubChem	43520190

M. W.

219.32264

CAS

Similarity

N/A

ID: 278583

1-(2-methoxyethoxy)propan-2-one

$$$$ Data

M. F.

C6H12O3

Suppliers	Catalog Number
Enamine	EN300-84318

Database	Data ID
PubChem	3517194

M. W.

132.15768

CAS

Similarity

N/A

ID: 278584

3-(5-methyl-1,3-thiazol-2-yl)benzoic acid

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
Enamine	EN300-84319

Database	Data ID
PubChem	54594926

M. W.

219.25966

CAS

Similarity

N/A

ID: 278585

6-chloro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

$$$$ Data

M. F.

C8H5ClN4OS

Suppliers	Catalog Number
Enamine	EN300-84320

Database	Data ID
PubChem	17144230

M. W.

240.6695

CAS

Similarity

N/A

ID: 278586

4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-one

$$$$ Data

M. F.

C4H2F3NOS

Suppliers	Catalog Number
Enamine	EN300-84321

Database	Data ID
PubChem	17977185

M. W.

169.1249896

CAS

Similarity

N/A

ID: 278587

3-[(5-chloro-2-methoxyphenyl)methyl]piperidine hydrochloride

$$$$ Data

M. F.

C13H19Cl2NO

Suppliers	Catalog Number
Enamine	EN300-84322

Database	Data ID
PubChem	54594927

M. W.

276.20206

CAS

Similarity

N/A

ID: 278588

N,3-dimethyl-4-phenyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-84323

Database	Data ID
PubChem	54594929

M. W.

187.24102

CAS

Similarity

N/A

ID: 278589

N-(3,4-dichlorophenyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C12H14Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-84324

Database	Data ID
PubChem	18072171

M. W.

273.15836

CAS

Similarity

N/A

ID: 278590

1-(4-benzylmorpholin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Enamine	EN300-84326

Database	Data ID
PubChem	54594930

M. W.

220.3107

CAS

Similarity

N/A

ID: 278591

6-chloro-N-methylpyridazine-3-carboxamide

$$$$ Data

M. F.

C6H6ClN3O

Suppliers	Catalog Number
Enamine	EN300-84327

Database	Data ID
PubChem	16733787

M. W.

171.58434

CAS

Similarity

N/A

ID: 278592

propane-1-sulfonohydrazide

$$$$ Data

M. F.

C3H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-84328

Database	Data ID
PubChem	4448311

M. W.

138.1887

CAS

Similarity

N/A

ID: 278593

4-(2-chloroethoxy)benzamide

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-84351

Database	Data ID
PubChem	13569171

M. W.

199.6342

CAS

Similarity

N/A

ID: 278594

2-[(3-methylbut-2-en-1-yl)sulfanyl]benzoic acid

$$$$ Data

M. F.

C12H14O2S

Suppliers	Catalog Number
Enamine	EN300-84352

Database	Data ID
PubChem	28369768

M. W.

222.30336

CAS

Similarity

N/A

ID: 278595

3-{[(2,2-dimethylpropyl)carbamoyl]amino}benzoic acid

$$$$ Data

M. F.

C13H18N2O3

Suppliers	Catalog Number
Enamine	EN300-84354

Database	Data ID
PubChem	53535657

M. W.

250.29362

CAS

Similarity

N/A

ID: 278596

tert-butyl N-({[1-(4-fluorophenyl)propyl]carbamoyl}methyl)carbamate

$$$$ Data

M. F.

C16H23FN2O3

Suppliers	Catalog Number
Enamine	EN300-84355

Database	Data ID
PubChem	54594931

M. W.

310.3638232

CAS

Similarity

N/A

ID: 278597

2-methyl-4-(thiophen-2-yl)pyrrolidine

$$$$ Data

M. F.

C9H13NS

Suppliers	Catalog Number
Enamine	EN300-84356

Database	Data ID
PubChem	54594932

M. W.

167.27122

CAS

Similarity

N/A

ID: 278598

3-(cyclopentyloxy)-4-methylaniline

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-84357

Database	Data ID
PubChem	39238512

M. W.

191.26948

CAS

Similarity

N/A

ID: 278599

2-[(3-bromophenyl)methyl]-4-methanesulfonylbutanoic acid

$$$$ Data

M. F.

C12H15BrO4S

Suppliers	Catalog Number
Enamine	EN300-84358

Database	Data ID
PubChem	53536964

M. W.

335.2141

CAS

Similarity

N/A

ID: 278600

4-{[1-(2,5-dichlorophenyl)ethyl]amino}-3-methylbenzoic acid

$$$$ Data

M. F.

C16H15Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-84359

Database	Data ID
PubChem	43736066

M. W.

324.2018

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