Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Enamine	EN300-100412

Database	Data ID
PubChem	71755404

M. W.

159.18786

CAS

Similarity

N/A

ID: 235002

2-ethanesulfonamidoethane-1-sulfonyl chloride

$$$$ Data

M. F.

C4H10ClNO4S2

Suppliers	Catalog Number
Enamine	EN300-100415

Database	Data ID
PubChem	71755405

M. W.

235.7095

CAS

Similarity

N/A

ID: 235003

1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine dihydrochloride

$$$$ Data

M. F.

C11H22Cl2N4

Suppliers	Catalog Number
Enamine	EN300-100416

Database	Data ID
PubChem	71755406

M. W.

281.22518

CAS

Similarity

N/A

ID: 235004

4-chloro-3,3-dimethyl-2,3-dihydro-1H-indole hydrochloride

$$$$ Data

M. F.

C10H13Cl2N

Suppliers	Catalog Number
Enamine	EN300-100418

Database	Data ID
PubChem	71755407

M. W.

218.12292

CAS

Similarity

N/A

ID: 235005

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

$$$$ Data

M. F.

C16H15N3O

Suppliers	Catalog Number
Enamine	EN300-10042

Database	Data ID
PubChem	3474783

M. W.

265.3098

CAS

Similarity

N/A

ID: 235006

N-methyl-3-(piperidin-4-yloxy)propanamide hydrochloride

$$$$ Data

M. F.

C9H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-100420

Database	Data ID
PubChem	71755408

M. W.

222.71236

CAS

Similarity

N/A

ID: 235007

3-methyl-2-(pyridin-3-yl)butanamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-100421

Database	Data ID
PubChem	71755409

M. W.

178.23096

CAS

Similarity

N/A

ID: 235008

1-(1-ethyl-1H-imidazol-2-yl)-3-phenylpropan-1-ol

$$$$ Data

M. F.

C14H18N2O

Suppliers	Catalog Number
Enamine	EN300-100422

Database	Data ID
PubChem	63976890

M. W.

230.30552

CAS

Similarity

N/A

ID: 235009

2-hydroxy-4-methylquinoline-3-carboxylic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Enamine	EN300-100423

Database	Data ID
PubChem	11850972

M. W.

203.19406

CAS

Similarity

N/A

ID: 235010

methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate

$$$$ Data

M. F.

C14H19NO2

Suppliers	Catalog Number
Enamine	EN300-100424
A&J Pharmtech	AJA-O14766

Database	Data ID
PubChem	4182955

M. W.

233.30616

CAS

885962-77-6

Similarity

N/A

ID: 235011

5-(benzyloxy)-2-(hydroxymethyl)-1-methyl-1,4-dihydropyridin-4-one

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Enamine	EN300-100427

Database	Data ID
PubChem	13158923

M. W.

245.2738

CAS

Similarity

N/A

ID: 235012

1-(1-cyclopropylethyl)-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C8H14ClN3

Suppliers	Catalog Number
Enamine	EN300-10043

Database	Data ID
PubChem	20994926

M. W.

187.66986

CAS

Similarity

N/A

ID: 235013

2-(pyridin-4-yl)propan-1-amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Enamine	EN300-100430

Database	Data ID
PubChem	43316814

M. W.

136.19428

CAS

Similarity

N/A

ID: 235014

[2-(methanesulfonylmethyl)phenyl]methanamine

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Enamine	EN300-100431

Database	Data ID
PubChem	64697035

M. W.

199.27002

CAS

Similarity

N/A

ID: 235015

1-(3,4-dichlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C10H8Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-100433

Database	Data ID
PubChem	83160

M. W.

243.08932

CAS

Similarity

N/A

ID: 235016

4-amino-3-methoxy-N,N-dimethylbenzamide hydrochloride

$$$$ Data

M. F.

C10H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-100435

Database	Data ID
PubChem	71755410

M. W.

230.6913

CAS

Similarity

N/A

ID: 235017

2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C7H9NO3S

Suppliers	Catalog Number
Enamine	EN300-100438

Database	Data ID
PubChem	71755411

M. W.

187.21626

CAS

Similarity

N/A

ID: 235018

[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methanamine

$$$$ Data

M. F.

C16H14N2S

Suppliers	Catalog Number
Enamine	EN300-100439

Database	Data ID
PubChem	4044753

M. W.

266.36076

CAS

Similarity

N/A

ID: 235019

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

$$$$ Data

M. F.

C13H17BrO2

Suppliers	Catalog Number
Enamine	EN300-100440

Database	Data ID
PubChem	60794349

M. W.

285.17688

CAS

Similarity

N/A

ID: 235020

2-(bromomethyl)-4-methoxy-1-nitrobenzene

$$$$ Data

M. F.

C8H8BrNO3

Suppliers	Catalog Number
Enamine	EN300-100441
A&J Pharmtech	AJA-O23991

Database	Data ID
PubChem	12423126

M. W.

246.05802

CAS

67567-46-8

Similarity

N/A

ID: 235021

(1R,5S)-7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one

$$$$ Data

M. F.

C14H17NO2

Suppliers	Catalog Number
Enamine	EN300-100445

Database	Data ID
PubChem	71755412

M. W.

231.29028

CAS

Similarity

N/A

ID: 235022

(1R,5S)-7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one

$$$$ Data

M. F.

C14H17NOS

Suppliers	Catalog Number
Enamine	EN300-100446

Database	Data ID
PubChem	7311278

M. W.

247.35588

CAS

Similarity

N/A

ID: 235023

(1R,5S)-7-benzyl-3λ⁶-thia-7-azabicyclo[3.3.1]nonane-3,3,9-trione

$$$$ Data

M. F.

C14H17NO3S

Suppliers	Catalog Number
Enamine	EN300-100447

Database	Data ID
PubChem	71755413

M. W.

279.35468

CAS

Similarity

N/A

ID: 235024

3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-one

$$$$ Data

M. F.

C13H15NO2

Suppliers	Catalog Number
Enamine	EN300-100448

Database	Data ID
PubChem	70655087

M. W.

217.2637

CAS

Similarity

N/A

ID: 235025

3-benzyl-6λ⁶-thia-3-azabicyclo[3.2.1]octane-6,6,8-trione

$$$$ Data

M. F.

C13H15NO3S

Suppliers	Catalog Number
Enamine	EN300-100449

Database	Data ID
PubChem	71755414

M. W.

265.3281

CAS

Similarity

N/A

ID: 235026

ethyl 2-(chloromethyl)-4-methylquinoline-3-carboxylate hydrochloride

$$$$ Data

M. F.

C14H15Cl2NO2

Suppliers	Catalog Number
Enamine	EN300-10045

Database	Data ID
PubChem	16196351

M. W.

300.1804

CAS

Similarity

N/A

ID: 235027

8-oxo-6-oxabicyclo[3.2.1]octane-3-carboxylic acid

$$$$ Data

M. F.

C8H10O4

Suppliers	Catalog Number
Enamine	EN300-100450

Database	Data ID
PubChem	71755415

M. W.

170.1626

CAS

Similarity

N/A

ID: 235028

6,6,8-trioxo-6λ⁶-thiabicyclo[3.2.1]octane-3-carboxylic acid

$$$$ Data

M. F.

C8H10O5S

Suppliers	Catalog Number
Enamine	EN300-100451

Database	Data ID
PubChem	71755416

M. W.

218.227

CAS

Similarity

N/A

ID: 235029

(1R,5S,7r)-9-oxo-3-thiabicyclo[3.3.1]nonane-7-carboxylic acid

$$$$ Data

M. F.

C9H12O3S

Suppliers	Catalog Number
Enamine	EN300-100452

Database	Data ID
PubChem	71755417

M. W.

200.25478

CAS

Similarity

N/A

ID: 235030

(1R,5S,7s)-3,3,9-trioxo-3λ⁶-thiabicyclo[3.3.1]nonane-7-carboxylic ac...

$$$$ Data

M. F.

C9H12O5S

Suppliers	Catalog Number
Enamine	EN300-100453

Database	Data ID
PubChem	71755418

M. W.

232.25358

CAS

Similarity

N/A

ID: 235031

3-amino-1,1-difluoropropan-2-ol

$$$$ Data

M. F.

C3H7F2NO

Suppliers	Catalog Number
Enamine	EN300-100454

Database	Data ID
PubChem	19604985

M. W.

111.0905864

CAS

Similarity

N/A

ID: 235032

2-fluorobutan-1-amine hydrochloride

$$$$ Data

M. F.

C4H11ClFN

Suppliers	Catalog Number
Enamine	EN300-100456

Database	Data ID
PubChem	71755419

M. W.

127.5882432

CAS

Similarity

N/A

ID: 235033

ethyl 5-(chloromethyl)-3-phenyl-8-thia-6-azatricyclo[7.4.0.0²,^7<...

$$$$ Data

M. F.

C21H21Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-10046

Database	Data ID
PubChem	16246406

M. W.

422.36794

CAS

Similarity

N/A

ID: 235034

1-[1-(2,5-dichlorophenyl)ethyl]-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H11Cl2N3

Suppliers	Catalog Number
Enamine	EN300-100465

Database	Data ID
PubChem	16786152

M. W.

256.13114

CAS

Similarity

N/A

ID: 235035

3-(4-methoxyphenyl)but-2-enoic acid

$$$$ Data

M. F.

C11H12O3

Suppliers	Catalog Number
Enamine	EN300-100466

Database	Data ID
PubChem	5375261

M. W.

192.21118

CAS

Similarity

N/A

ID: 235036

2-(1H-1,2,3-triazol-1-yl)acetic acid

$$$$ Data

M. F.

C4H5N3O2

Suppliers	Catalog Number
ChemBridge	4029091
Enamine	EN300-100467
A&J Pharmtech	AJA-O33149

Database	Data ID
PubChem	19018499

M. W.

127.1014

CAS

4314-22-1

Similarity

N/A

ID: 235037

4-[(2-fluorophenyl)methyl]piperidine hydrochloride

$$$$ Data

M. F.

C12H17ClFN

Suppliers	Catalog Number
Enamine	EN300-100468

Database	Data ID
PubChem	46172843

M. W.

229.7214832

CAS

Similarity

N/A

ID: 235038

3-methyl-5-phenylcyclohex-2-en-1-one

$$$$ Data

M. F.

C13H14O

Suppliers	Catalog Number
Enamine	EN300-100474

Database	Data ID
PubChem	219473

M. W.

186.24966

CAS

Similarity

N/A

ID: 235039

N-butylbutanamide

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Enamine	EN300-100475

Database	Data ID
PubChem	347960

M. W.

143.22668

CAS

Similarity

N/A

ID: 235040

1-(3-ethoxyphenyl)propan-1-ol

$$$$ Data

M. F.

C11H16O2

Suppliers	Catalog Number
Enamine	EN300-100476

Database	Data ID
PubChem	11948572

M. W.

180.24354

CAS

Similarity

N/A

ID: 235041

1-methylcyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Enamine	EN300-100478
Bide Pharmatech	BD223977
A&J Pharmtech	AJA-O7926 AJA-O8797 AJA-O2854

Database	Data ID
PubChem	12757488

M. W.

114.1424

CAS

32936-76-8

Similarity

N/A

ID: 235042

1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride

$$$$ Data

M. F.

C7H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-100479

Database	Data ID
PubChem	57383512

M. W.

190.62744

CAS

Similarity

N/A

ID: 235043

2-(chloromethyl)-4H-3,1-benzoxazin-4-one

$$$$ Data

M. F.

C9H6ClNO2

Suppliers	Catalog Number
Enamine	EN300-10048

Database	Data ID
PubChem	2125315

M. W.

195.60244

CAS

98592-35-9

Similarity

N/A

ID: 235044

2-(azepan-1-yl)cyclohexan-1-one

$$$$ Data

M. F.

C12H21NO

Suppliers	Catalog Number
Enamine	EN300-100481

Database	Data ID
PubChem	43794484

M. W.

195.30124

CAS

Similarity

N/A

ID: 235045

1-hydroxy-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C5H5NO2

Suppliers	Catalog Number
Enamine	EN300-100484

Database	Data ID
PubChem	69975

M. W.

111.0987

CAS

Similarity

N/A

ID: 235046

methyl 2-(4-fluorophenoxy)propanoate

$$$$ Data

M. F.

C10H11FO3

Suppliers	Catalog Number
Enamine	EN300-100486

Database	Data ID
PubChem	3304342

M. W.

198.1909432

CAS

Similarity

N/A

ID: 235047

2-(6-methoxypyridin-2-yl)acetonitrile

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Enamine	EN300-100487

Database	Data ID
PubChem	45489864

M. W.

148.16192

CAS

Similarity

N/A

ID: 235048

tert-butyl N-(1-methylpyrrolidin-3-yl)carbamate

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Enamine	EN300-100488

Database	Data ID
PubChem	23544388

M. W.

200.278

CAS

Similarity

N/A

ID: 235049

2-{[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C11H12N2O5S2

Suppliers	Catalog Number
Enamine	EN300-10049

Database	Data ID
PubChem	2120353

M. W.

316.35338

CAS

Similarity

N/A

ID: 235050

dimethyl(2-{3-[(methylamino)methyl]phenoxy}ethyl)amine

$$$$ Data

M. F.

C12H20N2O

Suppliers	Catalog Number
Enamine	EN300-100492

Database	Data ID
PubChem	28338639

M. W.

208.3

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