Chembase list of 866358 unique molecular structures

6-(azepan-1-yl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Enamine	EN300-35213

Database	Data ID
PubChem	16775581

M. W.

220.26764

CAS

Similarity

N/A

ID: 255902

1-(4-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C14H14N2O2

Suppliers	Catalog Number
Enamine	EN300-35215

Database	Data ID
PubChem	16777987

M. W.

242.27316

CAS

Similarity

N/A

ID: 255903

8-methoxy-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Enamine	EN300-35216

Database	Data ID
PubChem	5200345

M. W.

163.21632

CAS

53899-17-5

Similarity

N/A

ID: 255904

4-fluoro-3-(pyrrolidine-1-sulfonyl)benzoic acid

$$$$ Data

M. F.

C11H12FNO4S

Suppliers	Catalog Number
Enamine	EN300-35217

Database	Data ID
PubChem	4523155

M. W.

273.2806832

CAS

Similarity

N/A

ID: 255905

1-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C14H18O2

Suppliers	Catalog Number
Enamine	EN300-35218

Database	Data ID
PubChem	16768964

M. W.

218.29152

CAS

Similarity

N/A

ID: 255906

1-(3-methylbutyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Enamine	EN300-35219

Database	Data ID
PubChem	16769128

M. W.

185.26336

CAS

Similarity

N/A

ID: 255907

2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride

$$$$ Data

M. F.

C6H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-35220
Bide Pharmatech	BD241383

Database	Data ID
PubChem	17546223

M. W.

163.6021

CAS

116129-07-8

Similarity

N/A

ID: 255908

4-amino-N-(pyridin-3-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C11H11N3O2S

Suppliers	Catalog Number
Enamine	EN300-35221

Database	Data ID
PubChem	4778157

M. W.

249.28894

CAS

599-81-5

Similarity

N/A

ID: 255909

2-(hydroxymethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Enamine	EN300-35222

Database	Data ID
PubChem	16769569

M. W.

190.1986

CAS

Similarity

N/A

ID: 255910

1-{4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl}ethan-1-one

$$$$ Data

M. F.

C16H13F3O2

Suppliers	Catalog Number
Enamine	EN300-35223

Database	Data ID
PubChem	16768609

M. W.

294.2684296

CAS

Similarity

N/A

ID: 255911

potassium {4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl}sulfanide

$$$$ Data

M. F.

C15H12KN3O2S

Suppliers	Catalog Number
Enamine	EN300-35226

Database	Data ID
PubChem	23715002

M. W.

337.43798

CAS

Similarity

N/A

ID: 255912

4-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]butanoic acid

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
Enamine	EN300-35230

Database	Data ID
PubChem	12819271

M. W.

249.2625

CAS

Similarity

N/A

ID: 255913

2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

$$$$ Data

M. F.

C8H14F3NO

Suppliers	Catalog Number
Enamine	EN300-35233

Database	Data ID
PubChem	16228802

M. W.

197.1980696

CAS

Similarity

N/A

ID: 255914

2-(chloromethyl)-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C8H8Cl2N2

Suppliers	Catalog Number
Enamine	EN300-35245

Database	Data ID
PubChem	16242807

M. W.

203.06852

CAS

Similarity

N/A

ID: 255915

3-phenyl-1H,3H,5H,7aH-pyrrolo[1,2-c][1,3]oxazol-5-one

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-35256

Database	Data ID
PubChem	14736482

M. W.

201.22124

CAS

Similarity

N/A

ID: 255916

N-(2-bromophenyl)-2-[(furan-2-ylmethyl)amino]acetamide

$$$$ Data

M. F.

C13H13BrN2O2

Suppliers	Catalog Number
Enamine	EN300-35261

Database	Data ID
PubChem	2452076

M. W.

309.15852

CAS

Similarity

N/A

ID: 255917

2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one

$$$$ Data

M. F.

C9H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-35268

Database	Data ID
PubChem	5149334

M. W.

204.69708

CAS

Similarity

N/A

ID: 255918

2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline

$$$$ Data

M. F.

C8H9N5

Suppliers	Catalog Number
Enamine	EN300-35279

Database	Data ID
PubChem	2114008

M. W.

175.19056

CAS

Similarity

N/A

ID: 255919

1,3-diaminoguanidine hydrobromide

$$$$ Data

M. F.

CH8BrN5

Suppliers	Catalog Number
Enamine	EN300-35289

Database	Data ID
PubChem	20366313

M. W.

170.01172

CAS

Similarity

N/A

ID: 255920

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine

$$$$ Data

M. F.

C11H19N3O2S

Suppliers	Catalog Number
Enamine	EN300-35312

Database	Data ID
PubChem	3331839

M. W.

257.35246

CAS

Similarity

N/A

ID: 255921

3-(cyclopropylamino)-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C7H13NO2S

Suppliers	Catalog Number
Enamine	EN300-35326

Database	Data ID
PubChem	4962275

M. W.

175.24862

CAS

Similarity

N/A

ID: 255922

3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine

$$$$ Data

M. F.

C12H13F3N4

Suppliers	Catalog Number
Enamine	EN300-35328

Database	Data ID
PubChem	16226852

M. W.

270.2536296

CAS

Similarity

N/A

ID: 255923

N-(4-cyanophenyl)methanesulfonamide

$$$$ Data

M. F.

C8H8N2O2S

Suppliers	Catalog Number
Alfa Aesar	B20439
Enamine	EN300-35342

Database	Data ID
PubChem	2734199

M. W.

196.22632

CAS

36268-67-4

Similarity

N/A

ID: 255924

4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid hydrobromide

$$$$ Data

M. F.

C9H7BrN2O3

Suppliers	Catalog Number
Enamine	EN300-35347

Database	Data ID
PubChem	16236171

M. W.

271.06748

CAS

Similarity

N/A

ID: 255925

2-chloro-N-{5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl}acetamide

$$$$ Data

M. F.

C13H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-35348

Database	Data ID
PubChem	726216

M. W.

296.77252

CAS

Similarity

N/A

ID: 255926

2-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]propan-1-amine dihydrochloride

$$$$ Data

M. F.

C11H15Cl2F2N3

Suppliers	Catalog Number
Enamine	EN300-35364

Database	Data ID
PubChem	16340554

M. W.

298.1597064

CAS

Similarity

N/A

ID: 255927

2-{2-[(2-methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid

$$$$ Data

M. F.

C18H16N2O3S

Suppliers	Catalog Number
Enamine	EN300-35370

Database	Data ID
PubChem	4095384

M. W.

340.39624

CAS

Similarity

N/A

ID: 255928

2-[(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide

$$$$ Data

M. F.

C14H16N2O3

Suppliers	Catalog Number
Enamine	EN300-35378

Database	Data ID
PubChem	3272608

M. W.

260.28844

CAS

Similarity

N/A

ID: 255929

methyl 1,1,3-trioxo-2,3-dihydro-1λ⁶,2-benzothiazole-6-carboxylate

$$$$ Data

M. F.

C9H7NO5S

Suppliers	Catalog Number
Enamine	EN300-35384

Database	Data ID
PubChem	5062203

M. W.

241.22058

CAS

Similarity

N/A

ID: 255930

1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazine

$$$$ Data

M. F.

C10H14N6

Suppliers	Catalog Number
ChemBridge	4041403
Enamine	EN300-35397

Database	Data ID
PubChem	16767712

M. W.

218.25836

CAS

892253-50-8

Similarity

N/A

ID: 255931

4-[(3-oxopiperazin-1-yl)sulfonyl]benzoic acid

$$$$ Data

M. F.

C11H12N2O5S

Suppliers	Catalog Number
Enamine	EN300-35398

Database	Data ID
PubChem	16768478

M. W.

284.28838

CAS

Similarity

N/A

ID: 255932

ethyl 2-(3-chloropropanamido)-4-(thiophen-2-yl)thiophene-3-carboxylate

$$$$ Data

M. F.

C14H14ClNO3S2

Suppliers	Catalog Number
Enamine	EN300-35407

Database	Data ID
PubChem	16228686

M. W.

343.84886

CAS

Similarity

N/A

ID: 255933

5-chloro-2-[(furan-2-ylmethyl)amino]pyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C10H8ClN3O3

Suppliers	Catalog Number
Enamine	EN300-35443

Database	Data ID
PubChem	39869542

M. W.

253.64182

CAS

Similarity

N/A

ID: 255934

2-(furan-2-yl)-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C10H8N2O4

Suppliers	Catalog Number
Enamine	EN300-35452

Database	Data ID
PubChem	25646069

M. W.

220.18152

CAS

Similarity

N/A

ID: 255935

1-(4-methoxy-3-phenylphenyl)ethan-1-one

$$$$ Data

M. F.

C15H14O2

Suppliers	Catalog Number
Enamine	EN300-35457

Database	Data ID
PubChem	16768795

M. W.

226.27046

CAS

Similarity

N/A

ID: 255936

1-(2-methylpropyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Enamine	EN300-35458

Database	Data ID
PubChem	16228533

M. W.

171.23678

CAS

Similarity

N/A

ID: 255937

1-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic aci...

$$$$ Data

M. F.

C14H11F3N2O2

Suppliers	Catalog Number
Enamine	EN300-35459

Database	Data ID
PubChem	16777060

M. W.

296.2445496

CAS

Similarity

N/A

ID: 255938

2,5-dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C13H10F3NO

Suppliers	Catalog Number
Enamine	EN300-35461

Database	Data ID
PubChem	16228491

M. W.

253.2198096

CAS

Similarity

N/A

ID: 255939

2-chloro-4-methyl-1,3-thiazole-5-sulfonyl chloride

$$$$ Data

M. F.

C4H3Cl2NO2S2

Suppliers	Catalog Number
Enamine	EN300-35463

Database	Data ID
PubChem	12094250

M. W.

232.10812

CAS

Similarity

N/A

ID: 255940

3,4-dibutoxybenzoic acid

$$$$ Data

M. F.

C15H22O4

Suppliers	Catalog Number
Enamine	EN300-35464

Database	Data ID
PubChem	4654226

M. W.

266.33278

CAS

Similarity

N/A

ID: 255941

1-(3-bromophenyl)-3-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C10H10BrN3

Suppliers	Catalog Number
Enamine	EN300-35465

Database	Data ID
PubChem	16228125

M. W.

252.1105

CAS

Similarity

N/A

ID: 255942

2-[5-amino-3-(2-methylphenyl)-1H-pyrazol-1-yl]ethan-1-ol

$$$$ Data

M. F.

C12H15N3O

Suppliers	Catalog Number
Enamine	EN300-35466

Database	Data ID
PubChem	16228528

M. W.

217.267

CAS

Similarity

N/A

ID: 255943

2-methyl-5-propoxy-2,3-dihydro-1-benzofuran-6-carbaldehyde

$$$$ Data

M. F.

C13H16O3

Suppliers	Catalog Number
Enamine	EN300-35467

Database	Data ID
PubChem	16228019

M. W.

220.26434

CAS

Similarity

N/A

ID: 255944

2-[5-amino-3-(3-chlorophenyl)-1H-pyrazol-1-yl]ethan-1-ol

$$$$ Data

M. F.

C11H12ClN3O

Suppliers	Catalog Number
Enamine	EN300-35469

Database	Data ID
PubChem	16228420

M. W.

237.68548

CAS

Similarity

N/A

ID: 255945

1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C13H11N3S

Suppliers	Catalog Number
Enamine	EN300-35470

Database	Data ID
PubChem	16228641

M. W.

241.31154

CAS

Similarity

N/A

ID: 255946

3-methylimidazo[1,5-a]pyridine-1-carbaldehyde

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
ChemBridge	4017004
Enamine	EN300-35472

Database	Data ID
PubChem	1383643

M. W.

160.17262

CAS

610276-97-6

Similarity

N/A

ID: 255947

3-methylimidazo[1,5-a]pyridine

$$$$ Data

M. F.

C8H8N2

Suppliers	Catalog Number
Enamine	EN300-35473
Bide Pharmatech	BD241335

Database	Data ID
PubChem	2969264

M. W.

132.16252

CAS

6558-63-0

Similarity

N/A

ID: 255948

3-(1,3,4-oxadiazol-2-yl)phenol

$$$$ Data

M. F.

C8H6N2O2

Suppliers	Catalog Number
ChemBridge	9071939
Enamine	EN300-35475

Database	Data ID
PubChem	4300762

M. W.

162.14544

CAS

5378-29-0

Similarity

N/A

ID: 255949

4-[2-(pyrrolidin-1-yl)ethoxy]benzaldehyde

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Enamine	EN300-35478

Database	Data ID
PubChem	976844

M. W.

219.27958

CAS

26116-47-2

Similarity

N/A

ID: 255950

2-chloro-N-(ethoxymethyl)-N-(2-propylphenyl)acetamide

$$$$ Data

M. F.

C14H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-35479

Database	Data ID
PubChem	28819353

M. W.

269.7671

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