Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H6N2S

Suppliers	Catalog Number
Enamine	EN300-11297

Database	Data ID
PubChem	737312

M. W.

150.20094

CAS

76259-00-2

Similarity

N/A

ID: 240952

N-(4-fluoro-2-methylphenyl)-3-oxo-3-phenylpropanamide

$$$$ Data

M. F.

C16H14FNO2

Suppliers	Catalog Number
Enamine	EN300-11298

Database	Data ID
PubChem	2554773

M. W.

271.2862632

CAS

Similarity

N/A

ID: 240953

2-chloro-3,4-dimethylbenzonitrile

$$$$ Data

M. F.

C9H8ClN

Suppliers	Catalog Number
Enamine	EN300-112985

Database	Data ID
PubChem	12465052

M. W.

165.61952

CAS

Similarity

N/A

ID: 240954

2-ethyl 4-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

$$$$ Data

M. F.

C13H19NO5

Suppliers	Catalog Number
Enamine	EN300-11299

Database	Data ID
PubChem	2554554

M. W.

269.29366

CAS

Similarity

N/A

ID: 240955

1H-1,2,3-triazole-4-carboxamide

$$$$ Data

M. F.

C3H4N4O

Suppliers	Catalog Number
Enamine	EN300-113005

Database	Data ID
PubChem	13388323

M. W.

112.09006

CAS

Similarity

N/A

ID: 240956

2-(4-nitro-1H-pyrazol-1-yl)ethanimidamide hydrochloride

$$$$ Data

M. F.

C5H8ClN5O2

Suppliers	Catalog Number
Enamine	EN300-113008

Database	Data ID
PubChem	71756668

M. W.

205.60232

CAS

Similarity

N/A

ID: 240957

1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C8H5N7O2

Suppliers	Catalog Number
Enamine	EN300-113009

Database	Data ID
PubChem	61806702

M. W.

231.171

CAS

Similarity

N/A

ID: 240958

5-phenyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
ChemBridge	4019943
Enamine	EN300-113013

Database	Data ID
PubChem	12327105

M. W.

159.18786

CAS

91857-86-2

Similarity

N/A

ID: 240959

1-(1-methylcyclohexyl)piperidin-4-amine

$$$$ Data

M. F.

C12H24N2

Suppliers	Catalog Number
Enamine	EN300-113014

Database	Data ID
PubChem	59850195

M. W.

196.33236

CAS

Similarity

N/A

ID: 240960

5-ethyl-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-113016

Database	Data ID
PubChem	71756670

M. W.

182.65004

CAS

Similarity

N/A

ID: 240961

4-ethylbenzene-1,2-diamine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Enamine	EN300-113017

Database	Data ID
PubChem	12373213

M. W.

136.19428

CAS

Similarity

N/A

ID: 240962

2-[4-(2-methoxy-5-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

$$$$ Data

M. F.

C14H16N2O5

Suppliers	Catalog Number
Enamine	EN300-113019

Database	Data ID
PubChem	43247323

M. W.

292.28724

CAS

Similarity

N/A

ID: 240963

2-[4-(2-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

$$$$ Data

M. F.

C13H14N2O5

Suppliers	Catalog Number
Enamine	EN300-113021

Database	Data ID
PubChem	43247322

M. W.

278.26066

CAS

Similarity

N/A

ID: 240964

N-(propan-2-yl)pyrrolidine-3-sulfonamide

$$$$ Data

M. F.

C7H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-113023

Database	Data ID
PubChem	65422638

M. W.

192.27914

CAS

Similarity

N/A

ID: 240965

methyl 2-(4-amino-2-chlorophenoxy)acetate

$$$$ Data

M. F.

C9H10ClNO3

Suppliers	Catalog Number
Enamine	EN300-113026

Database	Data ID
PubChem	24700057

M. W.

215.6336

CAS

Similarity

N/A

ID: 240966

3-amino-3-(oxan-4-yl)propanoic acid

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-113028
A&J Pharmtech	AJA-O27266

Database	Data ID
PubChem	22309328

M. W.

173.2096

CAS

Similarity

N/A

ID: 240967

pyrimidin-2-ylmethanamine dihydrochloride

$$$$ Data

M. F.

C5H9Cl2N3

Suppliers	Catalog Number
Enamine	EN300-113029

Database	Data ID
PubChem	71756671

M. W.

182.05106

CAS

Similarity

N/A

ID: 240968

2-chloro-N-ethyl-N-({[(4-fluorophenyl)methyl]carbamoyl}methyl)acetamide

$$$$ Data

M. F.

C13H16ClFN2O2

Suppliers	Catalog Number
Enamine	EN300-11303

Database	Data ID
PubChem	2554544

M. W.

286.7297432

CAS

Similarity

N/A

ID: 240969

1-bromo-4,5-difluoro-2-nitrobenzene

$$$$ Data

M. F.

C6H2BrF2NO2

Suppliers	Catalog Number
Enamine	EN300-113032

Database	Data ID
PubChem	19261542

M. W.

237.9863864

CAS

Similarity

N/A

ID: 240970

(3-methoxypyridin-4-yl)methanamine

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-113033
A&J Pharmtech	AJA-O37797

Database	Data ID
PubChem	20352788

M. W.

138.1671

CAS

909895-75-6

Similarity

N/A

ID: 240971

methyl 3-amino-3-(4-chloro-3-fluorophenyl)propanoate

$$$$ Data

M. F.

C10H11ClFNO2

Suppliers	Catalog Number
Enamine	EN300-113036

Database	Data ID
PubChem	61652448

M. W.

231.6512432

CAS

Similarity

N/A

ID: 240972

5-(5-aminopyridin-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H9N5S

Suppliers	Catalog Number
Enamine	EN300-113037

Database	Data ID
PubChem	71756672

M. W.

207.25556

CAS

Similarity

N/A

ID: 240973

4-chloro-2-cyclopropyl-5H,6H,7H-cyclopenta[d]pyrimidine

$$$$ Data

M. F.

C10H11ClN2

Suppliers	Catalog Number
Enamine	EN300-113038

Database	Data ID
PubChem	61382114

M. W.

194.66074

CAS

Similarity

N/A

ID: 240974

methyl 2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetate

$$$$ Data

M. F.

C7H9N3O3

Suppliers	Catalog Number
Enamine	EN300-113039

Database	Data ID
PubChem	71756673

M. W.

183.16466

CAS

Similarity

N/A

ID: 240975

2-chloro-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethan-1-one

$$$$ Data

M. F.

C14H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-11304

Database	Data ID
PubChem	4961580

M. W.

281.73474

CAS

Similarity

N/A

ID: 240976

5-(4-methyl-4H-1,2,4-triazol-3-yl)pyridin-3-amine

$$$$ Data

M. F.

C8H9N5

Suppliers	Catalog Number
Enamine	EN300-113040

Database	Data ID
PubChem	63154162

M. W.

175.19056

CAS

Similarity

N/A

ID: 240977

4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole

$$$$ Data

M. F.

C12H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-113041

Database	Data ID
PubChem	56658623

M. W.

237.68218

CAS

Similarity

N/A

ID: 240978

N-ethyl-1H-imidazol-2-amine hydrochloride

$$$$ Data

M. F.

C5H10ClN3

Suppliers	Catalog Number
Enamine	EN300-113043

Database	Data ID
PubChem	71756674

M. W.

147.606

CAS

Similarity

N/A

ID: 240979

(4S)-4-amino-3,4-dihydro-2H-1λ⁶-benzothiopyran-1,1-dione hydrochlori...

$$$$ Data

M. F.

C9H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-113044

Database	Data ID
PubChem	71756675

M. W.

233.71508

CAS

Similarity

N/A

ID: 240980

2-(morpholin-2-ylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride

$$$$ Data

M. F.

C13H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-113045

Database	Data ID
PubChem	71756676

M. W.

282.7228

CAS

Similarity

N/A

ID: 240981

1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C19H19N3

Suppliers	Catalog Number
Enamine	EN300-11305

Database	Data ID
PubChem	2554551

M. W.

289.37426

CAS

Similarity

N/A

ID: 240982

3-amino-1-ethyl-1,4-dihydropyridin-4-one

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-113056

Database	Data ID
PubChem	71756677

M. W.

138.1671

CAS

Similarity

N/A

ID: 240983

3-amino-5-bromo-1-ethyl-1,4-dihydropyridin-4-one

$$$$ Data

M. F.

C7H9BrN2O

Suppliers	Catalog Number
Enamine	EN300-113058

Database	Data ID
PubChem	71756678

M. W.

217.06316

CAS

Similarity

N/A

ID: 240984

2-methyl-4-nitrobenzoyl chloride

$$$$ Data

M. F.

C8H6ClNO3

Suppliers	Catalog Number
Enamine	EN300-113061

Database	Data ID
PubChem	12846485

M. W.

199.59114

CAS

Similarity

N/A

ID: 240985

methyl 5-(iodomethyl)-2-methyl-4,5-dihydrofuran-3-carboxylate

$$$$ Data

M. F.

C8H11IO3

Suppliers	Catalog Number
Enamine	EN300-113073

Database	Data ID
PubChem	11346566

M. W.

282.07561

CAS

Similarity

N/A

ID: 240986

ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate

$$$$ Data

M. F.

C9H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-113077

Database	Data ID
PubChem	12363083

M. W.

214.64884

CAS

Similarity

N/A

ID: 240987

2-amino-3-(oxan-4-yl)propanoic acid

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Enamine	EN300-113078

Database	Data ID
PubChem	62386234

M. W.

173.2096

CAS

Similarity

N/A

ID: 240988

2-(naphthalene-2-sulfonamido)-3-phenylpropanoic acid

$$$$ Data

M. F.

C19H17NO4S

Suppliers	Catalog Number
Enamine	EN300-11308

Database	Data ID
PubChem	3125909

M. W.

355.40758

CAS

Similarity

N/A

ID: 240989

4,4-difluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

$$$$ Data

M. F.

C9H10ClF2N

Suppliers	Catalog Number
Enamine	EN300-113083

Database	Data ID
PubChem	71756679

M. W.

205.6322064

CAS

Similarity

N/A

ID: 240990

(1-methyl-1H-imidazol-2-yl)(piperidin-4-yl)methanol

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
ChemBridge	4005918
Enamine	EN300-113084

Database	Data ID
PubChem	44721319

M. W.

195.26148

CAS

912761-33-2

Similarity

N/A

ID: 240991

1-oxa-9-thiaspiro[5.5]undecan-4-amine

$$$$ Data

M. F.

C9H17NOS

Suppliers	Catalog Number
Enamine	EN300-113088

Database	Data ID
PubChem	71695413

M. W.

187.30238

CAS

Similarity

N/A

ID: 240992

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

$$$$ Data

M. F.

C10H7FN2O3

Suppliers	Catalog Number
Enamine	EN300-113089

Database	Data ID
PubChem	63383286

M. W.

222.1725832

CAS

Similarity

N/A

ID: 240993

4-bromo-2-iodo-6-methylaniline

$$$$ Data

M. F.

C7H7BrIN

Suppliers	Catalog Number
Enamine	EN300-113092

Database	Data ID
PubChem	58150156

M. W.

311.94565

CAS

Similarity

N/A

ID: 240994

tert-butyl 2-amino-3-phenylpropanoate

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Enamine	EN300-113093

Database	Data ID
PubChem	262751

M. W.

221.29546

CAS

Similarity

N/A

ID: 240995

methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate

$$$$ Data

M. F.

C11H13F2NO3

Suppliers	Catalog Number
Enamine	EN300-113094

Database	Data ID
PubChem	43147864

M. W.

245.2226264

CAS

Similarity

N/A

ID: 240996

4-(3-aminophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Enamine	EN300-113095

Database	Data ID
PubChem	11206089

M. W.

176.21508

CAS

Similarity

N/A

ID: 240997

2-amino-N-(propan-2-yl)-N-propylbenzamide

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Enamine	EN300-113096

Database	Data ID
PubChem	43269096

M. W.

220.3107

CAS

Similarity

N/A

ID: 240998

4-methanesulfonylpiperazin-2-one

$$$$ Data

M. F.

C5H10N2O3S

Suppliers	Catalog Number
Enamine	EN300-113097

Database	Data ID
PubChem	13190468

M. W.

178.2095

CAS

Similarity

N/A

ID: 240999

3,3-dimethyl-4-phenylpyrrolidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Enamine	EN300-113098

Database	Data ID
PubChem	71756680

M. W.

211.73102

CAS

Similarity

N/A

ID: 241000

1-(3-chloroprop-1-yn-1-yl)-4-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C10H6ClF3O

Suppliers	Catalog Number
Enamine	EN300-113099

Database	Data ID
PubChem	60802323

M. W.

234.6022496

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