Chembase list of 866358 unique molecular structures

1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C17H13NO3

Suppliers	Catalog Number
Enamine	EN300-111941

Database	Data ID
PubChem	286421

M. W.

279.29002

CAS

Similarity

N/A

ID: 240452

(butan-2-yl)(methoxy)amine hydrochloride

$$$$ Data

M. F.

C5H14ClNO

Suppliers	Catalog Number
Enamine	EN300-111944

Database	Data ID
PubChem	71756556

M. W.

139.62376

CAS

Similarity

N/A

ID: 240453

methoxy(propan-2-yl)amine hydrochloride

$$$$ Data

M. F.

C4H12ClNO

Suppliers	Catalog Number
Enamine	EN300-111945

Database	Data ID
PubChem	71756557

M. W.

125.59718

CAS

Similarity

N/A

ID: 240454

5-amino-3-methylpentanoic acid hydrochloride

$$$$ Data

M. F.

C6H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-111947

Database	Data ID
PubChem	71756558

M. W.

167.63386

CAS

Similarity

N/A

ID: 240455

4-[(2-methylphenyl)sulfanyl]benzoic acid

$$$$ Data

M. F.

C14H12O2S

Suppliers	Catalog Number
Enamine	EN300-111948

Database	Data ID
PubChem	11172598

M. W.

244.30888

CAS

Similarity

N/A

ID: 240456

2,3,4,5-tetrahydro-1,4-benzothiazepine

$$$$ Data

M. F.

C9H11NS

Suppliers	Catalog Number
Enamine	EN300-111949
Bide Pharmatech	BD224625

Database	Data ID
PubChem	12269106

M. W.

165.25534

CAS

58980-39-5

Similarity

N/A

ID: 240457

(1-aminocyclobutyl)methanol

$$$$ Data

M. F.

C5H11NO

Suppliers	Catalog Number
Enamine	EN300-111950
A&J Pharmtech	AJA-O13953

Database	Data ID
PubChem	21624254

M. W.

101.14694

CAS

180205-34-9

Similarity

N/A

ID: 240458

1-(pentafluorophenyl)-1H-pyrazol-3-amine

$$$$ Data

M. F.

C9H4F5N3

Suppliers	Catalog Number
Enamine	EN300-111951

Database	Data ID
PubChem	61176415

M. W.

249.140176

CAS

Similarity

N/A

ID: 240459

1H,1aH,6H,6aH-cyclopropa[a]inden-1-ylmethanamine hydrochloride

$$$$ Data

M. F.

C11H14ClN

Suppliers	Catalog Number
Enamine	EN300-111952

Database	Data ID
PubChem	71756559

M. W.

195.68856

CAS

Similarity

N/A

ID: 240460

6-bromo-8-chloro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

$$$$ Data

M. F.

C11H10BrClO2

Suppliers	Catalog Number
Enamine	EN300-111953

Database	Data ID
PubChem	64696638

M. W.

289.5529

CAS

Similarity

N/A

ID: 240461

1-N,3-N,4-trimethylbenzene-1,3-diamine dihydrochloride

$$$$ Data

M. F.

C9H16Cl2N2

Suppliers	Catalog Number
Enamine	EN300-111955

Database	Data ID
PubChem	71756561

M. W.

223.14274

CAS

Similarity

N/A

ID: 240462

1,1,1-trifluoro-2-methylpropan-2-amine

$$$$ Data

M. F.

C4H8F3N

Suppliers	Catalog Number
Enamine	EN300-111959

Database	Data ID
PubChem	11275188

M. W.

127.1082296

CAS

Similarity

N/A

ID: 240463

1-(3-bromo-4-methoxyphenyl)-2-chloroethan-1-one

$$$$ Data

M. F.

C9H8BrClO2

Suppliers	Catalog Number
Enamine	EN300-11196

Database	Data ID
PubChem	2546101

M. W.

263.51562

CAS

Similarity

N/A

ID: 240464

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

$$$$ Data

M. F.

C13H17N3

Suppliers	Catalog Number
Enamine	EN300-111962

Database	Data ID
PubChem	71756562

M. W.

215.29418

CAS

Similarity

N/A

ID: 240465

4-amino-1-ethylpiperidine-4-carbonitrile

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
Enamine	EN300-111964

Database	Data ID
PubChem	16792694

M. W.

153.2248

CAS

Similarity

N/A

ID: 240466

3-(1H-1,2,3-triazol-1-yl)aniline

$$$$ Data

M. F.

C8H8N4

Suppliers	Catalog Number
Enamine	EN300-111966

Database	Data ID
PubChem	59199898

M. W.

160.17592

CAS

Similarity

N/A

ID: 240467

4-azidobutanenitrile

$$$$ Data

M. F.

C4H6N4

Suppliers	Catalog Number
Enamine	EN300-111967

Database	Data ID
PubChem	3975474

M. W.

110.11724

CAS

Similarity

N/A

ID: 240468

2-chloro-N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]acetamide

$$$$ Data

M. F.

C10H8Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-11197

Database	Data ID
PubChem	2546121

M. W.

271.10272

CAS

Similarity

N/A

ID: 240469

6-methyl-1-(pyrimidin-2-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C10H8N6O

Suppliers	Catalog Number
Enamine	EN300-111971

Database	Data ID
PubChem	43531885

M. W.

228.21012

CAS

Similarity

N/A

ID: 240470

(2S)-2-amino-N-hydroxy-4-(methylsulfanyl)butanamide

$$$$ Data

M. F.

C5H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-111972

Database	Data ID
PubChem	44277995

M. W.

164.22598

CAS

Similarity

N/A

ID: 240471

bicyclo[2.2.2]octan-2-amine

$$$$ Data

M. F.

C8H15N

Suppliers	Catalog Number
Enamine	EN300-111973

Database	Data ID
PubChem	13239288

M. W.

125.2114

CAS

Similarity

N/A

ID: 240472

1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol hydrobromide

$$$$ Data

M. F.

C10H14BrNO

Suppliers	Catalog Number
Enamine	EN300-111976

Database	Data ID
PubChem	69529596

M. W.

244.12826

CAS

Similarity

N/A

ID: 240473

1,6-dioxaspiro[2.5]octane

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Enamine	EN300-111977
Bide Pharmatech	BD209172

Database	Data ID
PubChem	160439

M. W.

114.1424

CAS

185-72-8

Similarity

N/A

ID: 240474

2-chloro-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

$$$$ Data

M. F.

C11H8ClF3N4O

Suppliers	Catalog Number
Enamine	EN300-11198

Database	Data ID
PubChem	2546104

M. W.

304.6556296

CAS

Similarity

N/A

ID: 240475

9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-one

$$$$ Data

M. F.

C13H17NOS

Suppliers	Catalog Number
Enamine	EN300-111981

Database	Data ID
PubChem	62714474

M. W.

235.34518

CAS

Similarity

N/A

ID: 240476

methyl 2-cyclobutoxyacetate

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
Enamine	EN300-111982

Database	Data ID
PubChem	62115780

M. W.

144.16838

CAS

Similarity

N/A

ID: 240477

1-(3-acetyl-5-aminophenyl)ethan-1-one

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Enamine	EN300-111988

Database	Data ID
PubChem	463010

M. W.

177.19984

CAS

Similarity

N/A

ID: 240478

6-(morpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

$$$$ Data

M. F.

C10H16Cl2N4O

Suppliers	Catalog Number
Enamine	EN300-111991

Database	Data ID
PubChem	71756563

M. W.

279.16624

CAS

Similarity

N/A

ID: 240479

3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C9H13ClN2O3

Suppliers	Catalog Number
Enamine	EN300-111996

Database	Data ID
PubChem	71756564

M. W.

232.66412

CAS

Similarity

N/A

ID: 240480

3-amino-2-fluorophenol

$$$$ Data

M. F.

C6H6FNO

Suppliers	Catalog Number
Enamine	EN300-112000

Database	Data ID
PubChem	19896037

M. W.

127.1163432

CAS

Similarity

N/A

ID: 240481

2-chloro-1-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]ethan-1-one

$$$$ Data

M. F.

C15H12ClNOS2

Suppliers	Catalog Number
Enamine	EN300-11201

Database	Data ID
PubChem	2546107

M. W.

321.84488

CAS

65010-93-7

Similarity

N/A

ID: 240482

6-cyclopropylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

$$$$ Data

M. F.

C9H8N2OS

Suppliers	Catalog Number
Enamine	EN300-112016

Database	Data ID
PubChem	4418339

M. W.

192.23762

CAS

Similarity

N/A

ID: 240483

1-[4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C11H13Cl4N3

Suppliers	Catalog Number
Enamine	EN300-112017

Database	Data ID
PubChem	71756565

M. W.

329.05302

CAS

Similarity

N/A

ID: 240484

2-(3-phenylpropyl)pyrrolidine

$$$$ Data

M. F.

C13H19N

Suppliers	Catalog Number
Enamine	EN300-112018

Database	Data ID
PubChem	4441818

M. W.

189.29666

CAS

Similarity

N/A

ID: 240485

2-(3-methylbutyl)pyrrolidine

$$$$ Data

M. F.

C9H19N

Suppliers	Catalog Number
Enamine	EN300-112019

Database	Data ID
PubChem	21061949

M. W.

141.25386

CAS

Similarity

N/A

ID: 240486

2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Enamine	EN300-112020

Database	Data ID
PubChem	18687359

M. W.

176.25814

CAS

Similarity

N/A

ID: 240487

2-(pentan-2-yl)pyrrolidine

$$$$ Data

M. F.

C9H19N

Suppliers	Catalog Number
Enamine	EN300-112023

Database	Data ID
PubChem	43210047

M. W.

141.25386

CAS

Similarity

N/A

ID: 240488

2-(2-cyclohexylethyl)pyrrolidine

$$$$ Data

M. F.

C12H23N

Suppliers	Catalog Number
Enamine	EN300-112024

Database	Data ID
PubChem	3613848

M. W.

181.31772

CAS

Similarity

N/A

ID: 240489

1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}piperazine

$$$$ Data

M. F.

C8H11N7

Suppliers	Catalog Number
Enamine	EN300-112026

Database	Data ID
PubChem	61805517

M. W.

205.21984

CAS

Similarity

N/A

ID: 240490

5-phenyl-1H-pyrazole-3-carbaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Enamine	EN300-112027
A&J Pharmtech	AJA-O24686

Database	Data ID
PubChem	575563

M. W.

172.18332

CAS

57204-65-6

Similarity

N/A

ID: 240491

2-(3-fluorophenyl)propane-1,3-diol

$$$$ Data

M. F.

C9H11FO2

Suppliers	Catalog Number
Enamine	EN300-112028

Database	Data ID
PubChem	65422197

M. W.

170.1808432

CAS

Similarity

N/A

ID: 240492

(7-chloro-2H-1,3-benzodioxol-5-yl)methanamine

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-112029

Database	Data ID
PubChem	15548034

M. W.

185.60762

CAS

Similarity

N/A

ID: 240493

4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H9BrN2OS

Suppliers	Catalog Number
ChemBridge	5846891
Enamine	EN300-11203

Database	Data ID
PubChem	746809

M. W.

285.16026

CAS

189011-00-5

Similarity

N/A

ID: 240494

3-(2-iodoacetyl)-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C5H6INO3

Suppliers	Catalog Number
Enamine	EN300-112030

Database	Data ID
PubChem	11414154

M. W.

255.01051

CAS

Similarity

N/A

ID: 240495

[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

$$$$ Data

M. F.

C8H11F2N3O

Suppliers	Catalog Number
Enamine	EN300-112032

Database	Data ID
PubChem	71756566

M. W.

203.1892464

CAS

Similarity

N/A

ID: 240496

4-bromo-2-methanesulfonyl-1-methoxybenzene

$$$$ Data

M. F.

C8H9BrO3S

Suppliers	Catalog Number
Enamine	EN300-112033

Database	Data ID
PubChem	22345176

M. W.

265.12426

CAS

Similarity

N/A

ID: 240497

2-chloro-4-acetamidobenzoic acid

$$$$ Data

M. F.

C9H8ClNO3

Suppliers	Catalog Number
ChemBridge	7732073
Enamine	EN300-112035

Database	Data ID
PubChem	181587

M. W.

213.61772

CAS

38667-55-9

Similarity

N/A

ID: 240498

2-(6-bromo-1H-indol-3-yl)acetonitrile

$$$$ Data

M. F.

C10H7BrN2

Suppliers	Catalog Number
Enamine	EN300-112038

Database	Data ID
PubChem	15819328

M. W.

235.07998

CAS

Similarity

N/A

ID: 240499

4-(hydrazinecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C14H22N4O3S

Suppliers	Catalog Number
Enamine	EN300-11204

Database	Data ID
PubChem	2546112

M. W.

326.41448

CAS

Similarity

N/A

ID: 240500

N-[4-(carbamimidoylmethoxy)phenyl]-2-methylpropanamide hydrochloride

$$$$ Data

M. F.

C12H18ClN3O2

Suppliers	Catalog Number
Enamine	EN300-112041

Database	Data ID
PubChem	71756567

M. W.

271.74322

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