Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H15NO3S

Suppliers	Catalog Number
Enamine	EN300-128851

Database	Data ID
PubChem	23200256

M. W.

229.296

CAS

Similarity

N/A

ID: 248552

1-(3-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H9N3O2

Suppliers	Catalog Number
Enamine	EN300-128852

Database	Data ID
PubChem	18549360

M. W.

227.21876

CAS

Similarity

N/A

ID: 248553

N-(6-methylpyridin-3-yl)benzamide

$$$$ Data

M. F.

C13H12N2O

Suppliers	Catalog Number
Enamine	EN300-128853

Database	Data ID
PubChem	20726955

M. W.

212.24718

CAS

Similarity

N/A

ID: 248554

5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine

$$$$ Data

M. F.

C12H19N3

Suppliers	Catalog Number
Enamine	EN300-128854

Database	Data ID
PubChem	62477024

M. W.

205.29936

CAS

Similarity

N/A

ID: 248555

tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate

$$$$ Data

M. F.

C12H13N3O4

Suppliers	Catalog Number
Enamine	EN300-128855

Database	Data ID
PubChem	14381139

M. W.

263.24932

CAS

Similarity

N/A

ID: 248556

1-(1-benzylpyrrolidin-3-yl)ethan-1-ol

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-128856

Database	Data ID
PubChem	22560190

M. W.

205.29606

CAS

Similarity

N/A

ID: 248557

2-(3-fluorobenzoyl)-1-methyl-1H-imidazole

$$$$ Data

M. F.

C11H9FN2O

Suppliers	Catalog Number
Enamine	EN300-128857

Database	Data ID
PubChem	60660127

M. W.

204.2003632

CAS

Similarity

N/A

ID: 248558

N-(1-benzyl-6-methyl-1,2,5,6-tetrahydropyridin-3-yl)benzamide

$$$$ Data

M. F.

C20H22N2O

Suppliers	Catalog Number
Enamine	EN300-128858

Database	Data ID
PubChem	71758520

M. W.

306.40148

CAS

Similarity

N/A

ID: 248559

4-chloro-3-(difluoromethoxy)aniline

$$$$ Data

M. F.

C7H6ClF2NO

Suppliers	Catalog Number
Enamine	EN300-128859

Database	Data ID
PubChem	56993526

M. W.

193.5784464

CAS

Similarity

N/A

ID: 248560

3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-benzo[g]quinazolin-4-one

$$$$ Data

M. F.

C15H12N2OS

Suppliers	Catalog Number
Enamine	EN300-12886

Database	Data ID
PubChem	700940

M. W.

268.33358

CAS

Similarity

N/A

ID: 248561

1-(5-hydroxy-2-methoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Enamine	EN300-128860

Database	Data ID
PubChem	14146823

M. W.

166.1739

CAS

Similarity

N/A

ID: 248562

2,4,4-trimethyl-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Enamine	EN300-128861

Database	Data ID
PubChem	12715497

M. W.

175.27008

CAS

Similarity

N/A

ID: 248563

3-methanesulfonyl-4-methyl-4H-1,2,4-triazole

$$$$ Data

M. F.

C4H7N3O2S

Suppliers	Catalog Number
Enamine	EN300-128863

Database	Data ID
PubChem	22096352

M. W.

161.18228

CAS

Similarity

N/A

ID: 248564

4-[4-(hydroxymethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile

$$$$ Data

M. F.

C12H11N3O

Suppliers	Catalog Number
Enamine	EN300-128864

Database	Data ID
PubChem	71758521

M. W.

213.23524

CAS

Similarity

N/A

ID: 248565

5-bromo-2-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H12BrClO4S

Suppliers	Catalog Number
Enamine	EN300-128865

Database	Data ID
PubChem	62104374

M. W.

343.62188

CAS

Similarity

N/A

ID: 248566

2-methyl-2-(trifluoromethyl)piperidine

$$$$ Data

M. F.

C7H12F3N

Suppliers	Catalog Number
Enamine	EN300-128866

Database	Data ID
PubChem	71758522

M. W.

167.1720896

CAS

Similarity

N/A

ID: 248567

3,3-difluoro-2,3-dihydro-1H-inden-1-amine

$$$$ Data

M. F.

C9H9F2N

Suppliers	Catalog Number
Enamine	EN300-128868
A&J Pharmtech	AJA-O35949

Database	Data ID
PubChem	71758523

M. W.

169.1712664

CAS

1196156-50-9

Similarity

N/A

ID: 248568

1-(2-methoxyethyl)cyclobutane-1-carbaldehyde

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
Enamine	EN300-128869

Database	Data ID
PubChem	71758524

M. W.

142.19556

CAS

Similarity

N/A

ID: 248569

2-chloro-1-{2,5-dimethyl-1-[2-(thiophen-2-yl)ethyl]-1H-pyrrol-3-yl}ethan-1-one

$$$$ Data

M. F.

C14H16ClNOS

Suppliers	Catalog Number
Enamine	EN300-12887

Database	Data ID
PubChem	4962117

M. W.

281.80094

CAS

Similarity

N/A

ID: 248570

7-fluorobicyclo[2.2.1]heptane-2-carboxylic acid

$$$$ Data

M. F.

C8H11FO2

Suppliers	Catalog Number
Enamine	EN300-128870

Database	Data ID
PubChem	71758525

M. W.

158.1701432

CAS

Similarity

N/A

ID: 248571

2-aminobicyclo[2.2.1]heptane-7-carboxylic acid

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Enamine	EN300-128871

Database	Data ID
PubChem	71758526

M. W.

155.19432

CAS

Similarity

N/A

ID: 248572

2-{2-aminobicyclo[2.2.1]heptan-7-yl}acetic acid

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Enamine	EN300-128872

Database	Data ID
PubChem	71758527

M. W.

169.2209

CAS

Similarity

N/A

ID: 248573

2-aminobicyclo[2.2.1]heptan-7-ol

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Enamine	EN300-128873

Database	Data ID
PubChem	23366093

M. W.

127.18422

CAS

Similarity

N/A

ID: 248574

7-fluorobicyclo[2.2.1]heptan-2-amine

$$$$ Data

M. F.

C7H12FN

Suppliers	Catalog Number
Enamine	EN300-128874

Database	Data ID
PubChem	71758528

M. W.

129.1752832

CAS

Similarity

N/A

ID: 248575

7,7-difluorobicyclo[2.2.1]heptan-2-amine

$$$$ Data

M. F.

C7H11F2N

Suppliers	Catalog Number
Enamine	EN300-128875

Database	Data ID
PubChem	71758529

M. W.

147.1657464

CAS

Similarity

N/A

ID: 248576

7-cyanobicyclo[2.2.1]heptane-2-carboxylic acid

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-128876

Database	Data ID
PubChem	71758530

M. W.

165.18914

CAS

Similarity

N/A

ID: 248577

7-aminobicyclo[2.2.1]heptane-2,7-dicarboxylic acid

$$$$ Data

M. F.

C9H13NO4

Suppliers	Catalog Number
Enamine	EN300-128877

Database	Data ID
PubChem	44285845

M. W.

199.20382

CAS

Similarity

N/A

ID: 248578

2,4-dimethyl-6-nitrophenol

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Alfa Aesar	B25205
Enamine	EN300-12888
A&J Pharmtech	AJA-O9298

Database	Data ID
PubChem	84450

M. W.

167.16196

CAS

14452-34-7

Similarity

N/A

ID: 248579

N,N-dimethyl-4-sulfamoylbenzamide

$$$$ Data

M. F.

C9H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-128880

Database	Data ID
PubChem	10353728

M. W.

228.26818

CAS

Similarity

N/A

ID: 248580

(4-ethyloxan-4-yl)methanol

$$$$ Data

M. F.

C8H16O2

Suppliers	Catalog Number
Enamine	EN300-128881

Database	Data ID
PubChem	66024089

M. W.

144.21144

CAS

Similarity

N/A

ID: 248581

1-(oxan-3-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C7H16ClNO

Suppliers	Catalog Number
Enamine	EN300-128882

Database	Data ID
PubChem	71758531

M. W.

165.66104

CAS

Similarity

N/A

ID: 248582

2-cyclobutylethanimidamide hydrochloride

$$$$ Data

M. F.

C6H13ClN2

Suppliers	Catalog Number
Enamine	EN300-128884

Database	Data ID
PubChem	71758532

M. W.

148.63382

CAS

Similarity

N/A

ID: 248583

4-(2,2,3-trimethylcyclopentyl)butanoic acid

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
Enamine	EN300-128888

Database	Data ID
PubChem	25099817

M. W.

198.30188

CAS

Similarity

N/A

ID: 248584

4-(aminomethyl)-1-[2-(cyclopentyloxy)ethyl]pyrrolidin-2-one

$$$$ Data

M. F.

C12H22N2O2

Suppliers	Catalog Number
Enamine	EN300-128889

Database	Data ID
PubChem	64208564

M. W.

226.31528

CAS

Similarity

N/A

ID: 248585

5-methyl-3,6-diphenyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C19H14N2OS2

Suppliers	Catalog Number
Enamine	EN300-12889

Database	Data ID
PubChem	4841650

M. W.

350.45726

CAS

Similarity

N/A

ID: 248586

3-[(2-cyanoethyl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C10H10N2O4S

Suppliers	Catalog Number
Enamine	EN300-12890

Database	Data ID
PubChem	4962118

M. W.

254.2624

CAS

Similarity

N/A

ID: 248587

2-hydroxy-3-nitrobenzamide

$$$$ Data

M. F.

C7H6N2O4

Suppliers	Catalog Number
Enamine	EN300-128901

Database	Data ID
PubChem	11275392

M. W.

182.13354

CAS

Similarity

N/A

ID: 248588

1,4-diazepan-5-one; acetic acid

$$$$ Data

M. F.

C7H14N2O3

Suppliers	Catalog Number
Enamine	EN300-12893

Database	Data ID
PubChem	16334829

M. W.

174.19766

CAS

34376-54-0

Similarity

N/A

ID: 248589

N-(4-bromo-2,6-dimethylphenyl)-4-chlorobutanamide

$$$$ Data

M. F.

C12H15BrClNO

Suppliers	Catalog Number
Enamine	EN300-128932

Database	Data ID
PubChem	28561337

M. W.

304.6106

CAS

Similarity

N/A

ID: 248590

piperidin-4-yl methanesulfonate hydrochloride

$$$$ Data

M. F.

C6H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-128939

Database	Data ID
PubChem	71758533

M. W.

215.69826

CAS

Similarity

N/A

ID: 248591

bis(6-methyl-1,2-dihydropyridin-2-one); sulfuric acid

$$$$ Data

M. F.

C12H16N2O6S

Suppliers	Catalog Number
Enamine	EN300-128950

Database	Data ID
PubChem	71758534

M. W.

316.33024

CAS

Similarity

N/A

ID: 248592

2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic aci...

$$$$ Data

M. F.

C14H15ClFNO4

Suppliers	Catalog Number
Enamine	EN300-128955

Database	Data ID
PubChem	53608313

M. W.

315.7246032

CAS

Similarity

N/A

ID: 248593

4-chloro-1-(3,5-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C13H11ClN4

Suppliers	Catalog Number
Enamine	EN300-12896

Database	Data ID
PubChem	4962119

M. W.

258.70624

CAS

Similarity

N/A

ID: 248594

3-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
Enamine	EN300-128960

Database	Data ID
PubChem	18377318

M. W.

153.24464

CAS

Similarity

N/A

ID: 248595

2-cyclopropylcyclohexan-1-one

$$$$ Data

M. F.

C9H14O

Suppliers	Catalog Number
Enamine	EN300-128961

Database	Data ID
PubChem	13551785

M. W.

138.20686

CAS

Similarity

N/A

ID: 248596

2-oxononanoic acid

$$$$ Data

M. F.

C9H16O3

Suppliers	Catalog Number
Enamine	EN300-128962

Database	Data ID
PubChem	259793

M. W.

172.22154

CAS

Similarity

N/A

ID: 248597

6-bromo-1H,2H,3H-pyrrolo[3,2-b]pyridine

$$$$ Data

M. F.

C7H7BrN2

Suppliers	Catalog Number
Enamine	EN300-128964

Database	Data ID
PubChem	71758535

M. W.

199.04788

CAS

Similarity

N/A

ID: 248598

3-nitro-5H,6H,7H-cyclopenta[b]pyridine

$$$$ Data

M. F.

C8H8N2O2

Suppliers	Catalog Number
Enamine	EN300-128966

Database	Data ID
PubChem	11564522

M. W.

164.16132

CAS

Similarity

N/A

ID: 248599

3-(4-methoxy-3,5-dimethylpyridin-2-yl)propan-1-ol

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Enamine	EN300-128967

Database	Data ID
PubChem	62605421

M. W.

195.25818

CAS

Similarity

N/A

ID: 248600

methyl 1-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C6H8N2O2

Suppliers	Catalog Number
Enamine	EN300-128968
A&J Pharmtech	AJA-O10768

Database	Data ID
PubChem	7017175

M. W.

140.13992

CAS

17827-61-1

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