Chembase list of 866358 unique molecular structures

1-[(3-bromophenyl)methyl]-5-propyl-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C13H14BrN3O2

Suppliers	Catalog Number
Enamine	EN300-84889

Database	Data ID
PubChem	54595032

M. W.

324.17316

CAS

Similarity

N/A

ID: 278902

5-cyclopropyl-N-methyl-1H-pyrazol-3-amine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Enamine	EN300-84890

Database	Data ID
PubChem	54595033

M. W.

137.18234

CAS

Similarity

N/A

ID: 278903

(2R)-bicyclo[2.2.1]hept-5-en-2-ylmethanamine

$$$$ Data

M. F.

C8H13N

Suppliers	Catalog Number
Enamine	EN300-84891

Database	Data ID
PubChem	44889482

M. W.

123.19552

CAS

Similarity

N/A

ID: 278904

1-(2-bromoethoxy)-3,5-dichlorobenzene

$$$$ Data

M. F.

C8H7BrCl2O

Suppliers	Catalog Number
Enamine	EN300-84892

Database	Data ID
PubChem	22246776

M. W.

269.95058

CAS

Similarity

N/A

ID: 278905

4-azido-1,2-difluorobenzene

$$$$ Data

M. F.

C6H3F2N3

Suppliers	Catalog Number
Enamine	EN300-84893

Database	Data ID
PubChem	43154610

M. W.

155.1049264

CAS

Similarity

N/A

ID: 278906

4-(2,3-dichlorophenoxy)benzoic acid

$$$$ Data

M. F.

C13H8Cl2O3

Suppliers	Catalog Number
Enamine	EN300-84895

Database	Data ID
PubChem	29785944

M. W.

283.10682

CAS

Similarity

N/A

ID: 278907

N-cyclopropylpiperidin-4-amine dihydrochloride

$$$$ Data

M. F.

C8H18Cl2N2

Suppliers	Catalog Number
Enamine	EN300-84896

Database	Data ID
PubChem	54595034

M. W.

213.14792

CAS

Similarity

N/A

ID: 278908

3-(4-methylphenyl)pent-2-enoic acid

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Enamine	EN300-84897

Database	Data ID
PubChem	11435432

M. W.

190.23836

CAS

Similarity

N/A

ID: 278909

2-(octyloxy)acetic acid

$$$$ Data

M. F.

C10H20O3

Suppliers	Catalog Number
Enamine	EN300-84898

Database	Data ID
PubChem	28319

M. W.

188.264

CAS

Similarity

N/A

ID: 278910

methyl 4-amino-2,6-difluorobenzoate

$$$$ Data

M. F.

C8H7F2NO2

Suppliers	Catalog Number
Enamine	EN300-84899
Bide Pharmatech	BD221300

Database	Data ID
PubChem	23001755

M. W.

187.1434864

CAS

191478-99-6

Similarity

N/A

ID: 278911

methyl 4-azido-2,6-difluorobenzoate

$$$$ Data

M. F.

C8H5F2N3O2

Suppliers	Catalog Number
Enamine	EN300-84900

Database	Data ID
PubChem	22961767

M. W.

213.1410064

CAS

Similarity

N/A

ID: 278912

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1,4-diium; bis(tetrafluo...

$$$$ Data

M. F.

C9H18B2F8N4O

Suppliers	Catalog Number
Enamine	EN300-84907

Database	Data ID
PubChem	54595035

M. W.

371.8746456

CAS

Similarity

N/A

ID: 278913

2-oxo-1,2-dihydroquinoline-6-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClNO3S

Suppliers	Catalog Number
Enamine	EN300-84909

Database	Data ID
PubChem	53414652

M. W.

243.66684

CAS

Similarity

N/A

ID: 278914

cyclopent-3-en-1-amine

$$$$ Data

M. F.

C5H9N

Suppliers	Catalog Number
Enamine	EN300-84910

Database	Data ID
PubChem	2756396

M. W.

83.13166

CAS

Similarity

N/A

ID: 278915

1,3,6-trimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyrazine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-84916

Database	Data ID
PubChem	71758771

M. W.

166.22356

CAS

Similarity

N/A

ID: 278916

1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine

$$$$ Data

M. F.

C7H11N3S

Suppliers	Catalog Number
Enamine	EN300-84920

Database	Data ID
PubChem	54595037

M. W.

169.24734

CAS

Similarity

N/A

ID: 278917

1,3-dimethyl-1H,4H,5H,6H-7λ⁶,1,2,4-pyrazolo[3,4-b][1λ⁶,4...

$$$$ Data

M. F.

C7H11N3O2S

Suppliers	Catalog Number
Enamine	EN300-84921

Database	Data ID
PubChem	71758772

M. W.

201.24614

CAS

Similarity

N/A

ID: 278918

3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

$$$$ Data

M. F.

C8H6N4

Suppliers	Catalog Number
Enamine	EN300-84927

Database	Data ID
PubChem	54595038

M. W.

158.16004

CAS

Similarity

N/A

ID: 278919

5-iodo-2,2-dimethylpentanenitrile

$$$$ Data

M. F.

C7H12IN

Suppliers	Catalog Number
Enamine	EN300-84936

Database	Data ID
PubChem	53375368

M. W.

237.08135

CAS

Similarity

N/A

ID: 278920

(2-amino-1-methylcyclopentyl)methanol

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-84937

Database	Data ID
PubChem	54595039

M. W.

129.2001

CAS

Similarity

N/A

ID: 278921

2-chloro-1-(4-fluoro-3,5-dimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C10H10ClFO

Suppliers	Catalog Number
Enamine	EN300-84947

Database	Data ID
PubChem	54595040

M. W.

200.6372032

CAS

Similarity

N/A

ID: 278922

3,4-dimethyl pyridine-3,4-dicarboxylate

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
Enamine	EN300-84950

Database	Data ID
PubChem	596231

M. W.

195.17206

CAS

Similarity

N/A

ID: 278923

1-chloro-2-(ethoxymethyl)-4-nitrobenzene

$$$$ Data

M. F.

C9H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-84952

Database	Data ID
PubChem	43350362

M. W.

215.6336

CAS

Similarity

N/A

ID: 278924

N-(3-hydroxyphenyl)benzenesulfonamide

$$$$ Data

M. F.

C12H11NO3S

Suppliers	Catalog Number
Enamine	EN300-84953

Database	Data ID
PubChem	97359

M. W.

249.28564

CAS

Similarity

N/A

ID: 278925

2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C12H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-84954

Database	Data ID
PubChem	43244357

M. W.

264.30028

CAS

Similarity

N/A

ID: 278926

2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C12H7ClN2O5

Suppliers	Catalog Number
Enamine	EN300-84956

Database	Data ID
PubChem	54595041

M. W.

294.64738

CAS

Similarity

N/A

ID: 278927

2-(2-aminobutan-2-yl)-6-tert-butyl-3,4-dihydropyrimidin-4-one hydrochloride

$$$$ Data

M. F.

C12H22ClN3O

Suppliers	Catalog Number
Enamine	EN300-84957

Database	Data ID
PubChem	54595042

M. W.

259.77558

CAS

Similarity

N/A

ID: 278928

N-methyl-2-[2-(methylamino)ethoxy]acetamide hydrochloride

$$$$ Data

M. F.

C6H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-84958

Database	Data ID
PubChem	54595044

M. W.

182.6485

CAS

Similarity

N/A

ID: 278929

1-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

$$$$ Data

M. F.

C12H14O2S2

Suppliers	Catalog Number
Enamine	EN300-84959

Database	Data ID
PubChem	10682394

M. W.

254.36836

CAS

Similarity

N/A

ID: 278930

2-methoxyethanimidamide hydrochloride

$$$$ Data

M. F.

C3H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-84960
Bide Pharmatech	BD76456

Database	Data ID
PubChem	13548602

M. W.

124.56936

CAS

1903-91-9

Similarity

N/A

ID: 278931

2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H6F3NO3

Suppliers	Catalog Number
Enamine	EN300-84962

Database	Data ID
PubChem	18753311

M. W.

221.1333496

CAS

Similarity

N/A

ID: 278932

2-hydroxy-5-{[(propan-2-yl)carbamoyl]amino}benzoic acid

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Enamine	EN300-84966

Database	Data ID
PubChem	28737764

M. W.

238.23986

CAS

Similarity

N/A

ID: 278933

6-[3-methyl-4-(propan-2-yl)phenoxy]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C16H17NO3

Suppliers	Catalog Number
Enamine	EN300-84967

Database	Data ID
PubChem	28539759

M. W.

271.31108

CAS

Similarity

N/A

ID: 278934

1-chloro-2-isothiocyanato-4-methoxybenzene

$$$$ Data

M. F.

C8H6ClNOS

Suppliers	Catalog Number
Enamine	EN300-84969

Database	Data ID
PubChem	2772284

M. W.

199.65734

CAS

Similarity

N/A

ID: 278935

[4-(2,3-dichlorophenoxy)phenyl]methanamine

$$$$ Data

M. F.

C13H11Cl2NO

Suppliers	Catalog Number
Enamine	EN300-84971

Database	Data ID
PubChem	28965515

M. W.

268.13854

CAS

Similarity

N/A

ID: 278936

N,1,2-trimethylpiperidin-4-amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Enamine	EN300-84973

Database	Data ID
PubChem	53642773

M. W.

142.24192

CAS

Similarity

N/A

ID: 278937

3-(isocyanatomethyl)oxolane

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Enamine	EN300-84974

Database	Data ID
PubChem	54595046

M. W.

127.14116

CAS

Similarity

N/A

ID: 278938

2-(2,3-dimethylphenyl)pyrrolidine

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Enamine	EN300-84975

Database	Data ID
PubChem	20112844

M. W.

175.27008

CAS

Similarity

N/A

ID: 278939

3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid

$$$$ Data

M. F.

C8H11NO3

Suppliers	Catalog Number
Enamine	EN300-84977

Database	Data ID
PubChem	54595047

M. W.

169.17784

CAS

Similarity

N/A

ID: 278940

2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid

$$$$ Data

M. F.

C10H10F2O4

Suppliers	Catalog Number
Enamine	EN300-84979

Database	Data ID
PubChem	62802317

M. W.

232.1808064

CAS

Similarity

N/A

ID: 278941

N-(3,4-dichlorophenyl)piperidine-4-carboxamide hydrochloride

$$$$ Data

M. F.

C12H15Cl3N2O

Suppliers	Catalog Number
Enamine	EN300-84980

Database	Data ID
PubChem	54595048

M. W.

309.6193

CAS

Similarity

N/A

ID: 278942

dimethyl-1,3-thiazole-2-thiol

$$$$ Data

M. F.

C5H7NS2

Suppliers	Catalog Number
Enamine	EN300-84983

Database	Data ID
PubChem	817026

M. W.

145.24578

CAS

Similarity

N/A

ID: 278943

4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]morpholine

$$$$ Data

M. F.

C11H19N3O

Suppliers	Catalog Number
Enamine	EN300-84985

Database	Data ID
PubChem	52141999

M. W.

209.28806

CAS

Similarity

N/A

ID: 278944

6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

$$$$ Data

M. F.

C9H10BrN3O3S

Suppliers	Catalog Number
Enamine	EN300-84988

Database	Data ID
PubChem	54595049

M. W.

320.163

CAS

Similarity

N/A

ID: 278945

{[4,5-dimethoxy-2-(methylsulfanyl)phenyl]methyl}(methyl)amine hydrochloride

$$$$ Data

M. F.

C11H18ClNO2S

Suppliers	Catalog Number
Enamine	EN300-84989

Database	Data ID
PubChem	54595050

M. W.

263.78412

CAS

Similarity

N/A

ID: 278946

1-methyl-octahydro-1H-imidazolidino[4,5-c]pyridin-2-one hydrochloride

$$$$ Data

M. F.

C7H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-84991

Database	Data ID
PubChem	54595052

M. W.

191.65856

CAS

Similarity

N/A

ID: 278947

2-(2,3-dimethylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O2

Suppliers	Catalog Number
Enamine	EN300-84992

Database	Data ID
PubChem	43477984

M. W.

266.29456

CAS

Similarity

N/A

ID: 278948

6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride

$$$$ Data

M. F.

C9H8BrClN2O3S

Suppliers	Catalog Number
Enamine	EN300-84993

Database	Data ID
PubChem	54595054

M. W.

339.59342

CAS

Similarity

N/A

ID: 278949

1-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethan-1-one

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Enamine	EN300-84996

Database	Data ID
PubChem	5149999

M. W.

188.22578

CAS

Similarity

N/A

ID: 278950

2-oxo-1-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
Enamine	EN300-84997

Database	Data ID
PubChem	24275217

M. W.

247.28968

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