Chembase list of 866358 unique molecular structures

2-[(4-chloro-3-nitrophenyl)formamido]propanoic acid

$$$$ Data

M. F.

C10H9ClN2O5

Suppliers	Catalog Number
Enamine	EN300-09916

Database	Data ID
PubChem	3795226

M. W.

272.64186

CAS

Similarity

N/A

ID: 234752

2-[4-chloro-3-(trifluoromethyl)benzenesulfonamido]propanoic acid

$$$$ Data

M. F.

C10H9ClF3NO4S

Suppliers	Catalog Number
Enamine	EN300-09917

Database	Data ID
PubChem	3270164

M. W.

331.6959696

CAS

Similarity

N/A

ID: 234753

N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C10H14N2S

Suppliers	Catalog Number
Enamine	EN300-09918

Database	Data ID
PubChem	4584055

M. W.

194.29656

CAS

65913-05-5

Similarity

N/A

ID: 234754

6-amino-5-(dimethylamino)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C9H16N4O2

Suppliers	Catalog Number
Enamine	EN300-09919

Database	Data ID
PubChem	2497498

M. W.

212.24894

CAS

Similarity

N/A

ID: 234755

4-amino-6-methylpyrimidine-2-thiol

$$$$ Data

M. F.

C5H7N3S

Suppliers	Catalog Number
Enamine	EN300-09920

Database	Data ID
PubChem	853885

M. W.

141.19418

CAS

Similarity

N/A

ID: 234756

5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H15N3S

Suppliers	Catalog Number
Enamine	EN300-09922

Database	Data ID
PubChem	969256

M. W.

281.3754

CAS

Similarity

N/A

ID: 234757

5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H12ClN3S

Suppliers	Catalog Number
Enamine	EN300-09923

Database	Data ID
PubChem	853297

M. W.

301.79388

CAS

Similarity

N/A

ID: 234758

4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H9FN4S

Suppliers	Catalog Number
Enamine	EN300-09925

Database	Data ID
PubChem	748069

M. W.

272.3007632

CAS

Similarity

N/A

ID: 234759

3-(4-chlorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C14H11ClN2OS2

Suppliers	Catalog Number
Enamine	EN300-09926

Database	Data ID
PubChem	767532

M. W.

322.83294

CAS

Similarity

N/A

ID: 234760

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

$$$$ Data

M. F.

C10H11N3S

Suppliers	Catalog Number
Enamine	EN300-09927

Database	Data ID
PubChem	1778809

M. W.

205.27944

CAS

Similarity

N/A

ID: 234761

6-amino-5-(dimethylamino)-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C7H12N4O2

Suppliers	Catalog Number
Enamine	EN300-09929

Database	Data ID
PubChem	2497433

M. W.

184.19578

CAS

14094-38-3

Similarity

N/A

ID: 234762

6-amino-1-(2-methoxyethyl)-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-d...

$$$$ Data

M. F.

C12H20N4O3

Suppliers	Catalog Number
Enamine	EN300-09930

Database	Data ID
PubChem	2497425

M. W.

268.3122

CAS

Similarity

N/A

ID: 234763

6-amino-1-butyl-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C12H20N4O3

Suppliers	Catalog Number
Enamine	EN300-09931

Database	Data ID
PubChem	2497377

M. W.

268.3122

CAS

Similarity

N/A

ID: 234764

2-(4-bromophenoxymethyl)oxirane

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Enamine	EN300-09932
A&J Pharmtech	AJA-O35729

Database	Data ID
PubChem	102766

M. W.

229.07056

CAS

129098-55-1

Similarity

N/A

ID: 234765

2-(2,6-dimethylphenoxymethyl)oxirane

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Enamine	EN300-09933

Database	Data ID
PubChem	3749973

M. W.

178.22766

CAS

5296-34-4

Similarity

N/A

ID: 234766

2-(3-bromophenoxymethyl)oxirane

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Enamine	EN300-09934

Database	Data ID
PubChem	3865342

M. W.

229.07056

CAS

Similarity

N/A

ID: 234767

1-[4-(oxiran-2-ylmethoxy)phenyl]propan-1-one

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Enamine	EN300-09938

Database	Data ID
PubChem	251827

M. W.

206.23776

CAS

Similarity

N/A

ID: 234768

2-(4-ethoxyphenoxymethyl)oxirane

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Enamine	EN300-09939

Database	Data ID
PubChem	3744051

M. W.

194.22706

CAS

18110-26-4

Similarity

N/A

ID: 234769

2-(2,5-dichlorophenoxymethyl)oxirane

$$$$ Data

M. F.

C9H8Cl2O2

Suppliers	Catalog Number
Enamine	EN300-09940

Database	Data ID
PubChem	3793164

M. W.

219.06462

CAS

Similarity

N/A

ID: 234770

2-(2-tert-butyl-4-methoxyphenoxymethyl)oxirane

$$$$ Data

M. F.

C14H20O3

Suppliers	Catalog Number
Enamine	EN300-09941

Database	Data ID
PubChem	3336140

M. W.

236.3068

CAS

Similarity

N/A

ID: 234771

2-(3-ethylphenoxymethyl)oxirane

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Enamine	EN300-09942

Database	Data ID
PubChem	3487929

M. W.

178.22766

CAS

Similarity

N/A

ID: 234772

2-(4-tert-butyl-2-methylphenoxymethyl)oxirane

$$$$ Data

M. F.

C14H20O2

Suppliers	Catalog Number
Enamine	EN300-09943

Database	Data ID
PubChem	5018276

M. W.

220.3074

CAS

Similarity

N/A

ID: 234773

4-[4-(oxiran-2-ylmethoxy)phenyl]butan-2-one

$$$$ Data

M. F.

C13H16O3

Suppliers	Catalog Number
Enamine	EN300-09944

Database	Data ID
PubChem	3709816

M. W.

220.26434

CAS

Similarity

N/A

ID: 234774

2-[4-(2-phenylpropan-2-yl)phenoxymethyl]oxirane

$$$$ Data

M. F.

C18H20O2

Suppliers	Catalog Number
Enamine	EN300-09945

Database	Data ID
PubChem	62186

M. W.

268.3502

CAS

61578-04-9

Similarity

N/A

ID: 234775

2-(2,6-dichlorophenoxymethyl)oxirane

$$$$ Data

M. F.

C9H8Cl2O2

Suppliers	Catalog Number
Enamine	EN300-09946

Database	Data ID
PubChem	3706916

M. W.

219.06462

CAS

3556-00-1

Similarity

N/A

ID: 234776

1-[3-(oxiran-2-ylmethoxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C11H12O3

Suppliers	Catalog Number
Enamine	EN300-09947

Database	Data ID
PubChem	3720668

M. W.

192.21118

CAS

42865-03-2

Similarity

N/A

ID: 234777

2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxymethyl]oxirane

$$$$ Data

M. F.

C13H17ClO2

Suppliers	Catalog Number
Enamine	EN300-09948

Database	Data ID
PubChem	3870904

M. W.

240.72588

CAS

Similarity

N/A

ID: 234778

1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Enamine	EN300-09949

Database	Data ID
PubChem	3422186

M. W.

222.23716

CAS

69114-02-9

Similarity

N/A

ID: 234779

2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxymethyl}oxirane

$$$$ Data

M. F.

C13H16O3

Suppliers	Catalog Number
Enamine	EN300-09950

Database	Data ID
PubChem	5815977

M. W.

220.26434

CAS

Similarity

N/A

ID: 234780

4-cyclohexyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H24N4S

Suppliers	Catalog Number
Enamine	EN300-09951

Database	Data ID
PubChem	3749998

M. W.

268.42146

CAS

Similarity

N/A

ID: 234781

2-[(4-bromophenyl)sulfanyl]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H8BrNO2S

Suppliers	Catalog Number
Enamine	EN300-09953

Database	Data ID
PubChem	2125330

M. W.

310.16642

CAS

955-52-2

Similarity

N/A

ID: 234782

1-[3-nitro-4-(oxiran-2-ylmethoxy)benzenesulfonyl]pyrrolidine

$$$$ Data

M. F.

C13H16N2O6S

Suppliers	Catalog Number
Enamine	EN300-09954

Database	Data ID
PubChem	4657585

M. W.

328.34094

CAS

Similarity

N/A

ID: 234783

4-[2,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C14H19N3OS

Suppliers	Catalog Number
Enamine	EN300-09955

Database	Data ID
PubChem	4463317

M. W.

277.38516

CAS

Similarity

N/A

ID: 234784

ethyl 2-(2-chloroacetamido)-4-(furan-2-yl)thiophene-3-carboxylate

$$$$ Data

M. F.

C13H12ClNO4S

Suppliers	Catalog Number
Enamine	EN300-09956

Database	Data ID
PubChem	941744

M. W.

313.75668

CAS

356568-72-4

Similarity

N/A

ID: 234785

5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3OS

Suppliers	Catalog Number
Enamine	EN300-09959

Database	Data ID
PubChem	2081071

M. W.

249.332

CAS

Similarity

N/A

ID: 234786

3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C14H11FN2OS2

Suppliers	Catalog Number
Enamine	EN300-09960

Database	Data ID
PubChem	968822

M. W.

306.3783432

CAS

Similarity

N/A

ID: 234787

3-[(4-methylphenyl)sulfanyl]propanehydrazide

$$$$ Data

M. F.

C10H14N2OS

Suppliers	Catalog Number
Enamine	EN300-09962

Database	Data ID
PubChem	2512577

M. W.

210.29596

CAS

Similarity

N/A

ID: 234788

4-cyclohexyl-5-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C9H15N3S

Suppliers	Catalog Number
ChemBridge	4012394
Enamine	EN300-09965

Database	Data ID
PubChem	955487

M. W.

197.3005

CAS

38942-56-2

Similarity

N/A

ID: 234789

4-cyclohexyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3OS

Suppliers	Catalog Number
Enamine	EN300-09966

Database	Data ID
PubChem	660017

M. W.

249.332

CAS

Similarity

N/A

ID: 234790

1-(2-chloroacetyl)-3-(3-ethoxypropyl)urea

$$$$ Data

M. F.

C8H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-09969

Database	Data ID
PubChem	2080946

M. W.

222.6693

CAS

Similarity

N/A

ID: 234791

3-(2-chloroacetyl)-1-(2,3-dimethylcyclohexyl)urea

$$$$ Data

M. F.

C11H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-09970

Database	Data ID
PubChem	5010280

M. W.

246.73376

CAS

Similarity

N/A

ID: 234792

3-(2-chloroacetyl)-1-(2-methylcyclohexyl)urea

$$$$ Data

M. F.

C10H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-09971

Database	Data ID
PubChem	5010281

M. W.

232.70718

CAS

Similarity

N/A

ID: 234793

1-[4-(trifluoromethoxy)benzenesulfonyl]piperazine

$$$$ Data

M. F.

C11H13F3N2O3S

Suppliers	Catalog Number
Enamine	EN300-09972

Database	Data ID
PubChem	2079402

M. W.

310.2927296

CAS

Similarity

N/A

ID: 234794

methyl 3-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C14H21NO2S

Suppliers	Catalog Number
Enamine	EN300-09973

Database	Data ID
PubChem	5010282

M. W.

267.38704

CAS

Similarity

N/A

ID: 234795

methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate

$$$$ Data

M. F.

C9H8N2O3S3

Suppliers	Catalog Number
Enamine	EN300-09975

Database	Data ID
PubChem	2512344

M. W.

288.36642

CAS

Similarity

N/A

ID: 234796

3-chloro-5-methoxy-4-(propan-2-yloxy)benzoic acid

$$$$ Data

M. F.

C11H13ClO4

Suppliers	Catalog Number
Enamine	EN300-09976

Database	Data ID
PubChem	2120279

M. W.

244.67152

CAS

Similarity

N/A

ID: 234797

4-(difluoromethoxy)-3,5-dimethylbenzaldehyde

$$$$ Data

M. F.

C10H10F2O2

Suppliers	Catalog Number
Enamine	EN300-09977

Database	Data ID
PubChem	2120281

M. W.

200.1820064

CAS

Similarity

N/A

ID: 234798

3-[(E)-2-(pyridin-2-yl)ethenyl]aniline

$$$$ Data

M. F.

C13H12N2

Suppliers	Catalog Number
ChemBridge	4003092
Enamine	EN300-09978

Database	Data ID
PubChem	6246054

M. W.

196.24778

CAS

176034-12-1

Similarity

N/A

ID: 234799

2-cyclopentaneamido-4,5-dimethoxybenzoic acid

$$$$ Data

M. F.

C15H19NO5

Suppliers	Catalog Number
Enamine	EN300-09979

Database	Data ID
PubChem	2120308

M. W.

293.31506

CAS

Similarity

N/A

ID: 234800

2-(2-{bicyclo[2.2.1]heptan-2-yl}acetamido)-4,5-dimethoxybenzoic acid

$$$$ Data

M. F.

C18H23NO5

Suppliers	Catalog Number
Enamine	EN300-09981

Database	Data ID
PubChem	5005978

M. W.

333.37892

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