Chembase list of 866358 unique molecular structures

(2E)-3-[3-fluoro-4-(pyridin-3-yloxy)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C14H10FNO3

Suppliers	Catalog Number
Enamine	EN300-62080

Database	Data ID
PubChem	43327414

M. W.

259.2325032

CAS

Similarity

N/A

ID: 267052

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoic acid

$$$$ Data

M. F.

C12H13F3O4

Suppliers	Catalog Number
Enamine	EN300-62081

Database	Data ID
PubChem	47002917

M. W.

278.2244296

CAS

Similarity

N/A

ID: 267053

4-[(4-methoxyphenyl)methyl]piperidine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-62082
A&J Pharmtech	AJA-O32661

Database	Data ID
PubChem	3732740

M. W.

205.29606

CAS

37581-26-3

Similarity

N/A

ID: 267054

4-methoxynaphthalene-1-thiol

$$$$ Data

M. F.

C11H10OS

Suppliers	Catalog Number
Enamine	EN300-62083

Database	Data ID
PubChem	14668745

M. W.

190.2615

CAS

Similarity

N/A

ID: 267055

2-(chloromethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C9H10Cl2N2

Suppliers	Catalog Number
Enamine	EN300-62084

Database	Data ID
PubChem	12266803

M. W.

217.0951

CAS

Similarity

N/A

ID: 267056

1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C16H15NO4

Suppliers	Catalog Number
Enamine	EN300-62085

Database	Data ID
PubChem	24706731

M. W.

285.2946

CAS

Similarity

N/A

ID: 267057

3-(3-fluorophenyl)cyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C11H11FO2

Suppliers	Catalog Number
Enamine	EN300-62087

Database	Data ID
PubChem	47002918

M. W.

194.2022432

CAS

Similarity

N/A

ID: 267058

1-(1-methylpiperidin-4-yl)ethan-1-amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
ChemBridge	4019769
Enamine	EN300-62088

Database	Data ID
PubChem	21057734

M. W.

142.24192

CAS

1095499-33-4

Similarity

N/A

ID: 267059

[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Enamine	EN300-62089

Database	Data ID
PubChem	17389980

M. W.

206.28412

CAS

Similarity

N/A

ID: 267060

2-(2-methylphenyl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-62090

Database	Data ID
PubChem	18070977

M. W.

218.29482

CAS

Similarity

N/A

ID: 267061

3-[(propan-2-yl)amino]benzonitrile

$$$$ Data

M. F.

C10H12N2

Suppliers	Catalog Number
Enamine	EN300-62091

Database	Data ID
PubChem	23390734

M. W.

160.21568

CAS

Similarity

N/A

ID: 267062

3,4-dichloro-N-(propan-2-yl)aniline

$$$$ Data

M. F.

C9H11Cl2N

Suppliers	Catalog Number
Enamine	EN300-62092

Database	Data ID
PubChem	13803017

M. W.

204.09634

CAS

Similarity

N/A

ID: 267063

(1-methyl-1H-pyrazol-4-yl)methyl acetate

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Enamine	EN300-62093

Database	Data ID
PubChem	47002919

M. W.

154.1665

CAS

Similarity

N/A

ID: 267064

1-(pyridin-2-ylmethyl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-62094

Database	Data ID
PubChem	28373959

M. W.

174.2025

CAS

Similarity

N/A

ID: 267065

1-(pyridin-3-ylmethyl)-1H-pyrazol-4-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-62095

Database	Data ID
PubChem	28373961

M. W.

174.2025

CAS

Similarity

N/A

ID: 267066

2-chloro-N-ethylpyridin-4-amine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Enamine	EN300-62098

Database	Data ID
PubChem	47002920

M. W.

156.61276

CAS

Similarity

N/A

ID: 267067

3,4-dimethyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one

$$$$ Data

M. F.

C7H7N3O2

Suppliers	Catalog Number
Enamine	EN300-62102

Database	Data ID
PubChem	27538

M. W.

165.14938

CAS

Similarity

N/A

ID: 267068

3-(cyclopentylmethyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
Enamine	EN300-62106

Database	Data ID
PubChem	33788077

M. W.

166.22026

CAS

Similarity

N/A

ID: 267069

methyl 4-(pyridin-3-yloxy)benzoate

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Enamine	EN300-62107

Database	Data ID
PubChem	47002921

M. W.

229.23134

CAS

Similarity

N/A

ID: 267070

3-(3,5-dimethylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Enamine	EN300-62108

Database	Data ID
PubChem	22241658

M. W.

187.24102

CAS

Similarity

N/A

ID: 267071

2,6-dichloropyridine-3-sulfonamide

$$$$ Data

M. F.

C5H4Cl2N2O2S

Suppliers	Catalog Number
Enamine	EN300-62109

Database	Data ID
PubChem	47002922

M. W.

227.06846

CAS

Similarity

N/A

ID: 267072

5-tert-butyl-2,3-dihydro-1H-indole hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Enamine	EN300-62110

Database	Data ID
PubChem	47002923

M. W.

211.73102

CAS

Similarity

N/A

ID: 267073

4-(butan-2-yl)-5-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3S

Suppliers	Catalog Number
Enamine	EN300-62111

Database	Data ID
PubChem	43149360

M. W.

233.3326

CAS

Similarity

N/A

ID: 267074

3-amino-4-(morpholin-4-yl)-1λ⁶-thiolane-1,1-dione dihydrochloride

$$$$ Data

M. F.

C8H18Cl2N2O3S

Suppliers	Catalog Number
Enamine	EN300-62112

Database	Data ID
PubChem	47002924

M. W.

293.21112

CAS

Similarity

N/A

ID: 267075

4-(2-chloroethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C8H10ClNO2S

Suppliers	Catalog Number
Enamine	EN300-62113

Database	Data ID
PubChem	676524

M. W.

219.6885

CAS

Similarity

N/A

ID: 267076

4-(1H-1,2,4-triazol-1-yl)-3-(trifluoromethyl)aniline

$$$$ Data

M. F.

C9H7F3N4

Suppliers	Catalog Number
Enamine	EN300-62114

Database	Data ID
PubChem	47002925

M. W.

228.1738896

CAS

Similarity

N/A

ID: 267077

3-(pyridin-3-yloxy)propanoic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Enamine	EN300-62115

Database	Data ID
PubChem	23008478

M. W.

167.16196

CAS

Similarity

N/A

ID: 267078

2-amino-2-methylbutanamide hydrochloride

$$$$ Data

M. F.

C5H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-62116

Database	Data ID
PubChem	47002926

M. W.

152.62252

CAS

Similarity

N/A

ID: 267079

2,3,4,5-tetrahydro-1-benzoxepin-5-amine

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Enamine	EN300-62120

Database	Data ID
PubChem	15619698

M. W.

163.21632

CAS

Similarity

N/A

ID: 267080

N-(pyridin-2-ylmethyl)pyridin-3-amine

$$$$ Data

M. F.

C11H11N3

Suppliers	Catalog Number
Enamine	EN300-62121

Database	Data ID
PubChem	28430374

M. W.

185.22514

CAS

Similarity

N/A

ID: 267081

2-{[4-(butan-2-yl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C14H17N3O2S

Suppliers	Catalog Number
Enamine	EN300-62122

Database	Data ID
PubChem	43149447

M. W.

291.36868

CAS

Similarity

N/A

ID: 267082

3-amino-N-methyl-4-(thiomorpholin-4-yl)benzamide

$$$$ Data

M. F.

C12H17N3OS

Suppliers	Catalog Number
Enamine	EN300-62124

Database	Data ID
PubChem	47002927

M. W.

251.34788

CAS

Similarity

N/A

ID: 267083

3-amino-4-(thiomorpholin-4-yl)benzamide

$$$$ Data

M. F.

C11H15N3OS

Suppliers	Catalog Number
Enamine	EN300-62125

Database	Data ID
PubChem	43448310

M. W.

237.3213

CAS

Similarity

N/A

ID: 267084

3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Enamine	EN300-62127

Database	Data ID
PubChem	43614647

M. W.

218.2087

CAS

Similarity

N/A

ID: 267085

ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate

$$$$ Data

M. F.

C10H16N2O3

Suppliers	Catalog Number
Enamine	EN300-62128

Database	Data ID
PubChem	47002928

M. W.

212.24564

CAS

Similarity

N/A

ID: 267086

[1-(3-aminopyridin-2-yl)piperidin-4-yl]methanol

$$$$ Data

M. F.

C11H17N3O

Suppliers	Catalog Number
Enamine	EN300-62129

Database	Data ID
PubChem	43133152

M. W.

207.27218

CAS

Similarity

N/A

ID: 267087

2-cyclopropylpropanoic acid

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Enamine	EN300-62131

Database	Data ID
PubChem	21256867

M. W.

114.1424

CAS

Similarity

N/A

ID: 267088

N-(3-aminopropyl)benzamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-62132

Database	Data ID
PubChem	238993

M. W.

178.23096

CAS

Similarity

N/A

ID: 267089

1-(4-chloro-1H-pyrrole-2-carbonyl)-1,4-diazepane

$$$$ Data

M. F.

C10H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-62133

Database	Data ID
PubChem	28740889

M. W.

227.69066

CAS

Similarity

N/A

ID: 267090

1-(6-fluoro-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C10H8FNO

Suppliers	Catalog Number
Enamine	EN300-62134

Database	Data ID
PubChem	16751084

M. W.

177.1750232

CAS

Similarity

N/A

ID: 267091

1-(2-chlorophenyl)-1H-pyrazole

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Enamine	EN300-62136

Database	Data ID
PubChem	22037703

M. W.

178.61828

CAS

Similarity

N/A

ID: 267092

4-chloro-2-[(4-chlorophenyl)sulfanyl]-1-phenyl-1H-imidazole-5-carbaldehyde

$$$$ Data

M. F.

C16H10Cl2N2OS

Suppliers	Catalog Number
Enamine	EN300-62142

Database	Data ID
PubChem	47002929

M. W.

349.2344

CAS

Similarity

N/A

ID: 267093

3-bromo-N-(2,2-dichloroethenyl)benzamide

$$$$ Data

M. F.

C9H6BrCl2NO

Suppliers	Catalog Number
Enamine	EN300-62149

Database	Data ID
PubChem	47002930

M. W.

294.96004

CAS

Similarity

N/A

ID: 267094

8-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Enamine	EN300-62151

Database	Data ID
PubChem	325200

M. W.

168.5837

CAS

Similarity

N/A

ID: 267095

N,N,1-trimethyl-1H-imidazole-4-sulfonamide

$$$$ Data

M. F.

C6H11N3O2S

Suppliers	Catalog Number
Enamine	EN300-62155

Database	Data ID
PubChem	47002931

M. W.

189.23544

CAS

Similarity

N/A

ID: 267096

2-oxo-1-(propan-2-yl)-1,2-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C13H13NO3

Suppliers	Catalog Number
Enamine	EN300-62159

Database	Data ID
PubChem	10944290

M. W.

231.24722

CAS

Similarity

N/A

ID: 267097

2-[4-(cyclopentyloxy)phenyl]ethan-1-amine hydrochloride

$$$$ Data

M. F.

C13H20ClNO

Suppliers	Catalog Number
Enamine	EN300-62162

Database	Data ID
PubChem	47002932

M. W.

241.757

CAS

Similarity

N/A

ID: 267098

[3-(cyclopentyloxy)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Enamine	EN300-62163
Bide Pharmatech	BD215825

Database	Data ID
PubChem	47002933

M. W.

227.73042

CAS

1235441-67-4

Similarity

N/A

ID: 267099

3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-62164

Database	Data ID
PubChem	25593966

M. W.

194.21044

CAS

Similarity

N/A

ID: 267100

2-amino-N-cyclopropyl-3-phenylpropanamide hydrochloride

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
Enamine	EN300-62165

Database	Data ID
PubChem	47002934

M. W.

240.72918

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