Chembase list of 866358 unique molecular structures

(2S)-2-amino-3-(isoquinolin-5-yl)propanoic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-77308

Database	Data ID
PubChem	54593374

M. W.

216.23588

CAS

Similarity

N/A

ID: 274802

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(isoquinolin-5-yl)propanoic acid

$$$$ Data

M. F.

C17H20N2O4

Suppliers	Catalog Number
Enamine	EN300-77309

Database	Data ID
PubChem	54593375

M. W.

316.3517

CAS

Similarity

N/A

ID: 274803

(2R)-2-amino-3-(quinazolin-4-yl)propanoic acid

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-77313

Database	Data ID
PubChem	54593376

M. W.

217.22394

CAS

Similarity

N/A

ID: 274804

(2S)-2-amino-3-(quinazolin-4-yl)propanoic acid

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-77314

Database	Data ID
PubChem	54593377

M. W.

217.22394

CAS

Similarity

N/A

ID: 274805

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(quinazolin-4-yl)propanoic acid

$$$$ Data

M. F.

C16H19N3O4

Suppliers	Catalog Number
Enamine	EN300-77315

Database	Data ID
PubChem	54593378

M. W.

317.33976

CAS

Similarity

N/A

ID: 274806

(2R)-2-amino-3-(quinolin-3-yl)propanoic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-77318

Database	Data ID
PubChem	14840631

M. W.

216.23588

CAS

Similarity

N/A

ID: 274807

(2S)-2-amino-3-(quinolin-3-yl)propanoic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-77319

Database	Data ID
PubChem	14840632

M. W.

216.23588

CAS

Similarity

N/A

ID: 274808

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(quinolin-3-yl)propanoic acid

$$$$ Data

M. F.

C17H20N2O4

Suppliers	Catalog Number
Enamine	EN300-77321

Database	Data ID
PubChem	14840633

M. W.

316.3517

CAS

Similarity

N/A

ID: 274809

(2S)-2-amino-3-{pyrido[2,3-b]pyrazin-7-yl}propanoic acid

$$$$ Data

M. F.

C10H10N4O2

Suppliers	Catalog Number
Enamine	EN300-77325

Database	Data ID
PubChem	71758752

M. W.

218.212

CAS

Similarity

N/A

ID: 274810

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-2-yl)propanoic acid

$$$$ Data

M. F.

C11H16N2O4S

Suppliers	Catalog Number
Enamine	EN300-77329

Database	Data ID
PubChem	54593379

M. W.

272.32074

CAS

Similarity

N/A

ID: 274811

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(pyrimidin-5-yl)propanoic acid

$$$$ Data

M. F.

C12H17N3O4

Suppliers	Catalog Number
Enamine	EN300-77331

Database	Data ID
PubChem	54593380

M. W.

267.28108

CAS

Similarity

N/A

ID: 274812

6-(aminomethyl)-5,7-dimethyl-1H,2H-pyrazolo[1,5-a]pyrimidin-2-one dihydrochlorid...

$$$$ Data

M. F.

C9H14Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-77333

Database	Data ID
PubChem	54593381

M. W.

265.13966

CAS

Similarity

N/A

ID: 274813

{2-[4-(benzyloxy)phenoxy]ethyl}(methyl)amine

$$$$ Data

M. F.

C16H19NO2

Suppliers	Catalog Number
Enamine	EN300-77337

Database	Data ID
PubChem	2949037

M. W.

257.32756

CAS

Similarity

N/A

ID: 274814

2,2,2-trifluoroethyl N-(2-methylquinolin-4-yl)carbamate

$$$$ Data

M. F.

C13H11F3N2O2

Suppliers	Catalog Number
Enamine	EN300-77339

Database	Data ID
PubChem	39871509

M. W.

284.2338496

CAS

Similarity

N/A

ID: 274815

(2,5-dimethylfuran-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H12ClNO

Suppliers	Catalog Number
Enamine	EN300-77340

Database	Data ID
PubChem	54593383

M. W.

161.62928

CAS

Similarity

N/A

ID: 274816

2-amino-1-(furan-2-yl)ethan-1-one hydrochloride

$$$$ Data

M. F.

C6H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-77341

Database	Data ID
PubChem	13226138

M. W.

161.58622

CAS

Similarity

N/A

ID: 274817

2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C4H11Cl2N5

Suppliers	Catalog Number
Enamine	EN300-77343

Database	Data ID
PubChem	54593384

M. W.

200.06964

CAS

Similarity

N/A

ID: 274818

N'-aminoethanimidamide hydrochloride

$$$$ Data

M. F.

C2H8ClN3

Suppliers	Catalog Number
Enamine	EN300-77344

Database	Data ID
PubChem	12239607

M. W.

109.55802

CAS

Similarity

N/A

ID: 274819

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

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-77345

Database	Data ID
PubChem	28890024

M. W.

174.2025

CAS

Similarity

N/A

ID: 274820

2-fluoro-6-(2-methylpropanamido)benzoic acid

$$$$ Data

M. F.

C11H12FNO3

Suppliers	Catalog Number
Enamine	EN300-77346

Database	Data ID
PubChem	43442819

M. W.

225.2162832

CAS

Similarity

N/A

ID: 274821

1-(3-chlorophenyl)piperidin-3-amine dihydrochloride

$$$$ Data

M. F.

C11H17Cl3N2

Suppliers	Catalog Number
Enamine	EN300-77347

Database	Data ID
PubChem	54593386

M. W.

283.62508

CAS

Similarity

N/A

ID: 274822

methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Enamine	EN300-77350

Database	Data ID
PubChem	641183

M. W.

203.19406

CAS

Similarity

N/A

ID: 274823

2-(4-methylphenyl)cyclohexan-1-ol

$$$$ Data

M. F.

C13H18O

Suppliers	Catalog Number
Enamine	EN300-77353

Database	Data ID
PubChem	2759985

M. W.

190.28142

CAS

Similarity

N/A

ID: 274824

(2-fluorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C10H11ClFN3O

Suppliers	Catalog Number
Enamine	EN300-77354

Database	Data ID
PubChem	54593388

M. W.

243.6652432

CAS

Similarity

N/A

ID: 274825

5-chloro-2-methoxy-N-methylaniline hydrochloride

$$$$ Data

M. F.

C8H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-77355

Database	Data ID
PubChem	54593389

M. W.

208.08504

CAS

Similarity

N/A

ID: 274826

2-(5-methyl-1,2-oxazol-3-yl)acetic acid

$$$$ Data

M. F.

C6H7NO3

Suppliers	Catalog Number
Enamine	EN300-77356

Database	Data ID
PubChem	12278254

M. W.

141.12468

CAS

Similarity

N/A

ID: 274827

3,5-diethyl-1H-1,2,4-triazole

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
ChemBridge	4040956
Enamine	EN300-77357

Database	Data ID
PubChem	15520387

M. W.

125.17164

CAS

7343-35-3

Similarity

N/A

ID: 274828

3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Enamine	EN300-77358

Database	Data ID
PubChem	12529296

M. W.

124.14052

CAS

Similarity

N/A

ID: 274829

2-(2-methoxyethoxy)propanoic acid

$$$$ Data

M. F.

C6H12O4

Suppliers	Catalog Number
Enamine	EN300-77359

Database	Data ID
PubChem	9815219

M. W.

148.15708

CAS

Similarity

N/A

ID: 274830

9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-one

$$$$ Data

M. F.

C10H9ClO2

Suppliers	Catalog Number
Enamine	EN300-77360

Database	Data ID
PubChem	10352667

M. W.

196.63026

CAS

Similarity

N/A

ID: 274831

N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
Enamine	EN300-77361

Database	Data ID
PubChem	13579644

M. W.

161.2435

CAS

Similarity

N/A

ID: 274832

5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole

$$$$ Data

M. F.

C9H6ClFN2O

Suppliers	Catalog Number
Enamine	EN300-77362

Database	Data ID
PubChem	54593390

M. W.

212.6081432

CAS

Similarity

N/A

ID: 274833

[1-(3,4-dimethoxyphenyl)cyclohexyl]methanamine

$$$$ Data

M. F.

C15H23NO2

Suppliers	Catalog Number
Enamine	EN300-77363

Database	Data ID
PubChem	755344

M. W.

249.34862

CAS

Similarity

N/A

ID: 274834

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

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Enamine	EN300-77364

Database	Data ID
PubChem	54593391

M. W.

167.24808

CAS

Similarity

N/A

ID: 274835

2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one

$$$$ Data

M. F.

C8H9F3N2O

Suppliers	Catalog Number
Enamine	EN300-77365

Database	Data ID
PubChem	54593392

M. W.

206.1650696

CAS

Similarity

N/A

ID: 274836

2-methyl-1-(methylamino)propan-2-ol

$$$$ Data

M. F.

C5H13NO

Suppliers	Catalog Number
ChemBridge	4085463
Enamine	EN300-77367

Database	Data ID
PubChem	13432442

M. W.

103.16282

CAS

Similarity

N/A

ID: 274837

1-(2-bromoethyl)-4-ethylbenzene

$$$$ Data

M. F.

C10H13Br

Suppliers	Catalog Number
Enamine	EN300-77368

Database	Data ID
PubChem	19813187

M. W.

213.11422

CAS

Similarity

N/A

ID: 274838

1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

$$$$ Data

M. F.

C11H13F3N2O

Suppliers	Catalog Number
Enamine	EN300-77369

Database	Data ID
PubChem	43315507

M. W.

246.2289296

CAS

Similarity

N/A

ID: 274839

2-[cyclohexyl(methyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
Enamine	EN300-77370

Database	Data ID
PubChem	277582

M. W.

157.25326

CAS

Similarity

N/A

ID: 274840

2,4-dimethylpentane-1,2-diamine

$$$$ Data

M. F.

C7H18N2

Suppliers	Catalog Number
Enamine	EN300-77371

Database	Data ID
PubChem	3062927

M. W.

130.23122

CAS

Similarity

N/A

ID: 274841

tert-butyl N-(2-amino-2,4-dimethylpentyl)carbamate

$$$$ Data

M. F.

C12H26N2O2

Suppliers	Catalog Number
Enamine	EN300-77372

Database	Data ID
PubChem	54593393

M. W.

230.34704

CAS

Similarity

N/A

ID: 274842

3-methoxy-2-methylpropane-1,2-diamine

$$$$ Data

M. F.

C5H14N2O

Suppliers	Catalog Number
Enamine	EN300-77373

Database	Data ID
PubChem	54593394

M. W.

118.17746

CAS

Similarity

N/A

ID: 274843

2-{[1-(aminomethyl)cyclohexyl](methyl)amino}ethan-1-ol

$$$$ Data

M. F.

C10H22N2O

Suppliers	Catalog Number
Enamine	EN300-77375

Database	Data ID
PubChem	28759351

M. W.

186.29448

CAS

Similarity

N/A

ID: 274844

{2-methoxy-5-[(methylsulfanyl)methyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H13BO3S

Suppliers	Catalog Number
Enamine	EN300-77376

Database	Data ID
PubChem	54593395

M. W.

212.07372

CAS

Similarity

N/A

ID: 274845

2-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

$$$$ Data

M. F.

C11H14O

Suppliers	Catalog Number
Enamine	EN300-77377

Database	Data ID
PubChem	12522310

M. W.

162.22826

CAS

Similarity

N/A

ID: 274846

5-amino-3-methyl-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Enamine	EN300-77378

Database	Data ID
PubChem	3074542

M. W.

162.1885

CAS

Similarity

N/A

ID: 274847

2-(aminomethyl)-4-methoxyphenol hydrochloride

$$$$ Data

M. F.

C8H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-77379

Database	Data ID
PubChem	54593396

M. W.

189.63938

CAS

Similarity

N/A

ID: 274848

3-cyano-4-(pyrrolidin-1-yl)benzoic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-77391

Database	Data ID
PubChem	54593397

M. W.

216.23588

CAS

Similarity

N/A

ID: 274849

(1R)-1-(1H-1,3-benzodiazol-2-yl)ethan-1-ol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Enamine	EN300-77399

Database	Data ID
PubChem	729393

M. W.

162.1885

CAS

Similarity

N/A

ID: 274850

7-bromo-4-chloroquinazoline

$$$$ Data

M. F.

C8H4BrClN2

Suppliers	Catalog Number
Enamine	EN300-77407
Bide Pharmatech	BD110360
A&J Pharmtech	AJA-O31474

Database	Data ID
PubChem	16780855

M. W.

243.48776

CAS

573675-55-5

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