Chembase list of 866358 unique molecular structures

ethyl 2-amino-3-(pyridin-4-yl)propanoate dihydrochloride

$$$$ Data

M. F.

C10H16Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-101263

Database	Data ID
PubChem	71755503

M. W.

267.15224

CAS

Similarity

N/A

ID: 235402

1-methyl-2,3-dihydro-1H-inden-1-ol

$$$$ Data

M. F.

C10H12O

Suppliers	Catalog Number
Enamine	EN300-101264

Database	Data ID
PubChem	583751

M. W.

148.20168

CAS

Similarity

N/A

ID: 235403

4-(piperidin-1-yl)cyclohexan-1-amine

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
Enamine	EN300-101265

Database	Data ID
PubChem	22562154

M. W.

182.30578

CAS

Similarity

N/A

ID: 235404

3,5-dimethyl-5-(piperidin-3-yl)imidazolidine-2,4-dione hydrochloride

$$$$ Data

M. F.

C10H18ClN3O2

Suppliers	Catalog Number
Enamine	EN300-101271

Database	Data ID
PubChem	71755504

M. W.

247.72182

CAS

Similarity

N/A

ID: 235405

1,6-naphthyridin-4-amine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Enamine	EN300-101272
A&J Pharmtech	AJA-O35239

Database	Data ID
PubChem	589352

M. W.

145.16128

CAS

28593-08-0

Similarity

N/A

ID: 235406

2-[(2-hydroxycyclopentyl)(methyl)amino]acetic acid

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-101273

Database	Data ID
PubChem	60885872

M. W.

173.2096

CAS

Similarity

N/A

ID: 235407

2-[(7-chloroquinolin-4-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-101274

Database	Data ID
PubChem	24702116

M. W.

267.7313

CAS

Similarity

N/A

ID: 235408

3-amino-1-(3-chlorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-101275

Database	Data ID
PubChem	59657934

M. W.

210.66014

CAS

Similarity

N/A

ID: 235409

7-methyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

$$$$ Data

M. F.

C5H5N5O

Suppliers	Catalog Number
Enamine	EN300-101276

Database	Data ID
PubChem	97225

M. W.

151.1261

CAS

Similarity

N/A

ID: 235410

5-chloro-2-(2-methoxyethoxy)benzonitrile

$$$$ Data

M. F.

C10H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-101277

Database	Data ID
PubChem	17821617

M. W.

211.6449

CAS

Similarity

N/A

ID: 235411

7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

$$$$ Data

M. F.

C10H7N5O

Suppliers	Catalog Number
Enamine	EN300-101278

Database	Data ID
PubChem	270870

M. W.

213.19548

CAS

Similarity

N/A

ID: 235412

3-(chloromethyl)-7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one

$$$$ Data

M. F.

C11H8ClN5O

Suppliers	Catalog Number
Enamine	EN300-101279

Database	Data ID
PubChem	71755506

M. W.

261.66712

CAS

Similarity

N/A

ID: 235413

2-[(1Z)-3-amino-1H-isoindol-1-ylidene]-2-cyanoacetamide

$$$$ Data

M. F.

C11H8N4O

Suppliers	Catalog Number
Enamine	EN300-10128

Database	Data ID
PubChem	2415676

M. W.

212.20742

CAS

Similarity

N/A

ID: 235414

3-(3-chlorophenyl)but-2-enoic acid

$$$$ Data

M. F.

C10H9ClO2

Suppliers	Catalog Number
Enamine	EN300-101280

Database	Data ID
PubChem	28791453

M. W.

196.63026

CAS

Similarity

N/A

ID: 235415

5-(1H-imidazol-1-yl)pyrimidine

$$$$ Data

M. F.

C7H6N4

Suppliers	Catalog Number
Enamine	EN300-101281

Database	Data ID
PubChem	67500646

M. W.

146.14934

CAS

Similarity

N/A

ID: 235416

2-hydroxy-5-methyl-N-(pyridin-4-yl)benzamide

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
Enamine	EN300-101282

Database	Data ID
PubChem	3011431

M. W.

228.24658

CAS

Similarity

N/A

ID: 235417

1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C11H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-101283

Database	Data ID
PubChem	71755507

M. W.

239.70136

CAS

Similarity

N/A

ID: 235418

2-fluoro-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C9H8FN3O2S

Suppliers	Catalog Number
Enamine	EN300-101284

Database	Data ID
PubChem	43532703

M. W.

241.2421232

CAS

Similarity

N/A

ID: 235419

6-chloro-N-(3,4-dihydro-2H-1-benzopyran-4-yl)pyrimidin-4-amine

$$$$ Data

M. F.

C13H12ClN3O

Suppliers	Catalog Number
Enamine	EN300-101285

Database	Data ID
PubChem	55024617

M. W.

261.70688

CAS

Similarity

N/A

ID: 235420

4-(oxan-2-ylmethoxy)piperidine

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Enamine	EN300-101289

Database	Data ID
PubChem	24711490

M. W.

199.28994

CAS

Similarity

N/A

ID: 235421

2-[(1Z)-3-amino-1H-isoindol-1-ylidene]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-...

$$$$ Data

M. F.

C19H14N4O3

Suppliers	Catalog Number
Enamine	EN300-10129

Database	Data ID
PubChem	2513429

M. W.

346.33946

CAS

Similarity

N/A

ID: 235422

2,6-dimethyl-4-[2-(piperidin-4-yl)ethyl]morpholine

$$$$ Data

M. F.

C13H26N2O

Suppliers	Catalog Number
Enamine	EN300-101290

Database	Data ID
PubChem	43149909

M. W.

226.35834

CAS

Similarity

N/A

ID: 235423

1-(2-hydroxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C7H8N2O5

Suppliers	Catalog Number
Enamine	EN300-101291

Database	Data ID
PubChem	71755508

M. W.

200.14882

CAS

Similarity

N/A

ID: 235424

(1,4-dimethylpiperidin-2-yl)methanamine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Enamine	EN300-101293

Database	Data ID
PubChem	63840501

M. W.

142.24192

CAS

Similarity

N/A

ID: 235425

methyl 2-(1-aminocyclobutyl)acetate

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
Enamine	EN300-101294

Database	Data ID
PubChem	71755509

M. W.

143.18362

CAS

Similarity

N/A

ID: 235426

2H,3H,4H-pyrido[4,3-b][1,4]oxazine

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Enamine	EN300-101295

Database	Data ID
PubChem	21885950

M. W.

136.15122

CAS

Similarity

N/A

ID: 235427

bicyclo[2.2.1]heptane-2-sulfonyl chloride

$$$$ Data

M. F.

C7H11ClO2S

Suppliers	Catalog Number
Enamine	EN300-101296

Database	Data ID
PubChem	62084553

M. W.

194.67904

CAS

Similarity

N/A

ID: 235428

N,N-dimethylpiperazine-2-carboxamide

$$$$ Data

M. F.

C7H15N3O

Suppliers	Catalog Number
Enamine	EN300-101297

Database	Data ID
PubChem	21295694

M. W.

157.2135

CAS

Similarity

N/A

ID: 235429

ethyl 3-(3-methylphenyl)propanoate

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Enamine	EN300-101298

Database	Data ID
PubChem	15209344

M. W.

192.25424

CAS

Similarity

N/A

ID: 235430

2-(azepan-2-yl)-1-phenylethan-1-one hydrochloride

$$$$ Data

M. F.

C14H20ClNO

Suppliers	Catalog Number
Enamine	EN300-101299

Database	Data ID
PubChem	71755510

M. W.

253.7677

CAS

Similarity

N/A

ID: 235431

2-[(1Z)-3-amino-1H-isoindol-1-ylidene]-2-cyano-N-(1,3-thiazol-2-yl)acetamide

$$$$ Data

M. F.

C14H9N5OS

Suppliers	Catalog Number
Enamine	EN300-10130

Database	Data ID
PubChem	2513453

M. W.

295.31916

CAS

Similarity

N/A

ID: 235432

ethyl 2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

$$$$ Data

M. F.

C10H14N2O2S

Suppliers	Catalog Number
Enamine	EN300-101307

Database	Data ID
PubChem	212359

M. W.

226.29536

CAS

Similarity

N/A

ID: 235433

1,2-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Enamine	EN300-101308

Database	Data ID
PubChem	62639800

M. W.

220.22458

CAS

Similarity

N/A

ID: 235434

2-(cyanosulfanyl)-1-[2-(trifluoromethyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C10H6F3NOS

Suppliers	Catalog Number
Enamine	EN300-101309

Database	Data ID
PubChem	16756368

M. W.

245.2209496

CAS

Similarity

N/A

ID: 235435

2-[(1Z)-3-amino-1H-isoindol-1-ylidene]-2-cyano-N-cyclohexylacetamide

$$$$ Data

M. F.

C17H18N4O

Suppliers	Catalog Number
Enamine	EN300-10131

Database	Data ID
PubChem	2513519

M. W.

294.35102

CAS

Similarity

N/A

ID: 235436

ethyl 3-amino-2-methylpropanoate hydrochloride

$$$$ Data

M. F.

C6H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-101311

Database	Data ID
PubChem	19611788

M. W.

167.63386

CAS

Similarity

N/A

ID: 235437

4-(2-phenylethyl)pyridin-2-amine hydrochloride

$$$$ Data

M. F.

C13H15ClN2

Suppliers	Catalog Number
Enamine	EN300-101312

Database	Data ID
PubChem	71755511

M. W.

234.7246

CAS

Similarity

N/A

ID: 235438

methyl 4-(chloromethyl)-5-ethylfuran-2-carboxylate

$$$$ Data

M. F.

C9H11ClO3

Suppliers	Catalog Number
Enamine	EN300-101314

Database	Data ID
PubChem	12171693

M. W.

202.63484

CAS

Similarity

N/A

ID: 235439

2,2-dimethylcyclopentan-1-amine

$$$$ Data

M. F.

C7H15N

Suppliers	Catalog Number
Enamine	EN300-101315

Database	Data ID
PubChem	15196532

M. W.

113.2007

CAS

Similarity

N/A

ID: 235440

1-(2,5-difluorophenyl)piperazine

$$$$ Data

M. F.

C10H12F2N2

Suppliers	Catalog Number
Enamine	EN300-101316

Database	Data ID
PubChem	18545281

M. W.

198.2124864

CAS

Similarity

N/A

ID: 235441

2-[(1Z)-3-amino-1H-isoindol-1-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenit...

$$$$ Data

M. F.

C17H19N5O

Suppliers	Catalog Number
Enamine	EN300-10132

Database	Data ID
PubChem	2513266

M. W.

309.36566

CAS

Similarity

N/A

ID: 235442

[(4-chlorophenyl)(pyrazin-2-yl)methyl](methyl)amine

$$$$ Data

M. F.

C12H12ClN3

Suppliers	Catalog Number
Enamine	EN300-101322

Database	Data ID
PubChem	56924374

M. W.

233.69678

CAS

Similarity

N/A

ID: 235443

4-(2,4-dioxoimidazolidin-1-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C9H9N3O4S

Suppliers	Catalog Number
Enamine	EN300-101324

Database	Data ID
PubChem	71755512

M. W.

255.25046

CAS

Similarity

N/A

ID: 235444

4-(2,4-dioxo-1,3-diazinan-1-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C10H11N3O4S

Suppliers	Catalog Number
Enamine	EN300-101325

Database	Data ID
PubChem	71755513

M. W.

269.27704

CAS

Similarity

N/A

ID: 235445

4-(2,4-dioxo-1,3-diazinan-1-yl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H9ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-101326

Database	Data ID
PubChem	71755514

M. W.

288.70746

CAS

Similarity

N/A

ID: 235446

2-(2-methylphenyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C9H14ClN

Suppliers	Catalog Number
Enamine	EN300-101328

Database	Data ID
PubChem	60150300

M. W.

171.66716

CAS

Similarity

N/A

ID: 235447

2-[(1Z)-3-amino-1H-isoindol-1-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide

$$$$ Data

M. F.

C15H16N4O2

Suppliers	Catalog Number
Enamine	EN300-10133

Database	Data ID
PubChem	2512492

M. W.

284.31314

CAS

Similarity

N/A

ID: 235448

N-(2,2-difluoroethyl)cyclopentanamine hydrochloride

$$$$ Data

M. F.

C7H14ClF2N

Suppliers	Catalog Number
Enamine	EN300-101337

Database	Data ID
PubChem	71755515

M. W.

185.6425664

CAS

Similarity

N/A

ID: 235449

(1E)-1-{[1-(propan-2-yl)-1H-pyrazol-5-yl]imino}-1H-isoindol-3-amine

$$$$ Data

M. F.

C14H15N5

Suppliers	Catalog Number
Enamine	EN300-10134

Database	Data ID
PubChem	6916632

M. W.

253.3024

CAS

Similarity

N/A

ID: 235450

5-bromo-2-(oxan-4-ylsulfanyl)pyridine

$$$$ Data

M. F.

C10H12BrNOS

Suppliers	Catalog Number
Enamine	EN300-101342

Database	Data ID
PubChem	62991580

M. W.

274.17738

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