Chembase list of 866358 unique molecular structures

(1-difluoromethanesulfonylpiperidin-4-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H15ClF2N2O2S

Suppliers	Catalog Number
Enamine	EN300-75803

Database	Data ID
PubChem	54592998

M. W.

264.7210064

CAS

Similarity

N/A

ID: 274002

1-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide

$$$$ Data

M. F.

C13H17BrN2O

Suppliers	Catalog Number
Enamine	EN300-75804

Database	Data ID
PubChem	24703389

M. W.

297.19088

CAS

Similarity

N/A

ID: 274003

2-chloro-6-(difluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H5ClF2O2

Suppliers	Catalog Number
Enamine	EN300-75805

Database	Data ID
PubChem	51888875

M. W.

206.5739064

CAS

Similarity

N/A

ID: 274004

1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridin-7-one

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Enamine	EN300-75806

Database	Data ID
PubChem	52908351

M. W.

150.1778

CAS

Similarity

N/A

ID: 274005

1,1-dioxo-1λ⁶-thiane-4-carboxylic acid

$$$$ Data

M. F.

C6H10O4S

Suppliers	Catalog Number
Enamine	EN300-75807
Bide Pharmatech	BD153443

Database	Data ID
PubChem	1491755

M. W.

178.2062

CAS

64096-87-3

Similarity

N/A

ID: 274006

1-(5-aminopyridin-2-yl)-1H-pyrazole-4-sulfonamide

$$$$ Data

M. F.

C8H9N5O2S

Suppliers	Catalog Number
Enamine	EN300-75809

Database	Data ID
PubChem	53613707

M. W.

239.25436

CAS

Similarity

N/A

ID: 274007

(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethan-1-ol

$$$$ Data

M. F.

C5H8N2O2

Suppliers	Catalog Number
Enamine	EN300-75811

Database	Data ID
PubChem	52908205

M. W.

128.12922

CAS

Similarity

N/A

ID: 274008

(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethan-1-ol

$$$$ Data

M. F.

C5H8N2O2

Suppliers	Catalog Number
Enamine	EN300-75812

Database	Data ID
PubChem	52908204

M. W.

128.12922

CAS

Similarity

N/A

ID: 274009

(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol

$$$$ Data

M. F.

C5H7NOS

Suppliers	Catalog Number
Enamine	EN300-75815

Database	Data ID
PubChem	10796762

M. W.

129.18018

CAS

Similarity

N/A

ID: 274010

benzyl 2-(chloromethyl)morpholine-4-carboxylate

$$$$ Data

M. F.

C13H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-75816

Database	Data ID
PubChem	54592999

M. W.

269.72404

CAS

Similarity

N/A

ID: 274011

(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol

$$$$ Data

M. F.

C5H7NOS

Suppliers	Catalog Number
Enamine	EN300-75817

Database	Data ID
PubChem	11423603

M. W.

129.18018

CAS

Similarity

N/A

ID: 274012

2-(diethylsulfamoyl)acetic acid

$$$$ Data

M. F.

C6H13NO4S

Suppliers	Catalog Number
Enamine	EN300-75819

Database	Data ID
PubChem	28773414

M. W.

195.23672

CAS

Similarity

N/A

ID: 274013

4-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid

$$$$ Data

M. F.

C11H21NO4

Suppliers	Catalog Number
Enamine	EN300-75821

Database	Data ID
PubChem	53612878

M. W.

231.28874

CAS

Similarity

N/A

ID: 274014

6-chloroquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6ClNO

Suppliers	Catalog Number
Enamine	EN300-75827

Database	Data ID
PubChem	21818207

M. W.

191.61374

CAS

Similarity

N/A

ID: 274015

2-(6-chloroquinolin-8-yl)ethan-1-amine

$$$$ Data

M. F.

C11H11ClN2

Suppliers	Catalog Number
Enamine	EN300-75828

Database	Data ID
PubChem	54593000

M. W.

206.67144

CAS

Similarity

N/A

ID: 274016

7-chloroquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6ClNO

Suppliers	Catalog Number
Enamine	EN300-75830

Database	Data ID
PubChem	21271239

M. W.

191.61374

CAS

Similarity

N/A

ID: 274017

2-(7-chloroquinolin-8-yl)ethan-1-amine

$$$$ Data

M. F.

C11H11ClN2

Suppliers	Catalog Number
Enamine	EN300-75833

Database	Data ID
PubChem	54593001

M. W.

206.67144

CAS

Similarity

N/A

ID: 274018

5-fluoroquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6FNO

Suppliers	Catalog Number
Enamine	EN300-75835

Database	Data ID
PubChem	53418504

M. W.

175.1591432

CAS

Similarity

N/A

ID: 274019

2-(5-fluoroquinolin-8-yl)acetonitrile

$$$$ Data

M. F.

C11H7FN2

Suppliers	Catalog Number
Enamine	EN300-75836

Database	Data ID
PubChem	54593002

M. W.

186.1850832

CAS

Similarity

N/A

ID: 274020

2-(5-fluoroquinolin-8-yl)ethan-1-amine

$$$$ Data

M. F.

C11H11FN2

Suppliers	Catalog Number
Enamine	EN300-75837

Database	Data ID
PubChem	54593003

M. W.

190.2168432

CAS

Similarity

N/A

ID: 274021

6-bromoquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6BrNO

Suppliers	Catalog Number
Enamine	EN300-75839

Database	Data ID
PubChem	53404466

M. W.

236.06474

CAS

Similarity

N/A

ID: 274022

2-(6-bromoquinolin-8-yl)acetonitrile

$$$$ Data

M. F.

C11H7BrN2

Suppliers	Catalog Number
Enamine	EN300-75840

Database	Data ID
PubChem	54593004

M. W.

247.09068

CAS

Similarity

N/A

ID: 274023

6-fluoroquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6FNO

Suppliers	Catalog Number
Enamine	EN300-75842

Database	Data ID
PubChem	21818204

M. W.

175.1591432

CAS

Similarity

N/A

ID: 274024

6-fluoroquinoline-8-carboxylic acid

$$$$ Data

M. F.

C10H6FNO2

Suppliers	Catalog Number
Enamine	EN300-75843

Database	Data ID
PubChem	54593005

M. W.

191.1585432

CAS

Similarity

N/A

ID: 274025

2-(6-fluoroquinolin-8-yl)ethan-1-amine

$$$$ Data

M. F.

C11H11FN2

Suppliers	Catalog Number
Enamine	EN300-75845

Database	Data ID
PubChem	54593006

M. W.

190.2168432

CAS

Similarity

N/A

ID: 274026

5-chloroquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6ClNO

Suppliers	Catalog Number
Enamine	EN300-75846

Database	Data ID
PubChem	53418483

M. W.

191.61374

CAS

Similarity

N/A

ID: 274027

2-(5-chloroquinolin-8-yl)acetonitrile

$$$$ Data

M. F.

C11H7ClN2

Suppliers	Catalog Number
Enamine	EN300-75847

Database	Data ID
PubChem	54593007

M. W.

202.63968

CAS

Similarity

N/A

ID: 274028

2-amino-5-bromo-3-fluorobenzoic acid

$$$$ Data

M. F.

C7H5BrFNO2

Suppliers	Catalog Number
Enamine	EN300-75849

Database	Data ID
PubChem	40424597

M. W.

234.0225032

CAS

Similarity

N/A

ID: 274029

5-nitroquinoline-8-carbaldehyde

$$$$ Data

M. F.

C10H6N2O3

Suppliers	Catalog Number
Enamine	EN300-75850

Database	Data ID
PubChem	18847884

M. W.

202.16624

CAS

Similarity

N/A

ID: 274030

5-nitroquinoline-8-carboxylic acid

$$$$ Data

M. F.

C10H6N2O4

Suppliers	Catalog Number
Enamine	EN300-75852

Database	Data ID
PubChem	15405331

M. W.

218.16564

CAS

Similarity

N/A

ID: 274031

2-tert-butyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-75853

Database	Data ID
PubChem	12258917

M. W.

152.19368

CAS

Similarity

N/A

ID: 274032

2-(5-nitroquinolin-8-yl)ethan-1-amine

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-75855

Database	Data ID
PubChem	54593008

M. W.

217.22394

CAS

Similarity

N/A

ID: 274033

3-(furan-2-yl)-2-(phenylformamido)prop-2-enoic acid

$$$$ Data

M. F.

C14H11NO4

Suppliers	Catalog Number
Enamine	EN300-75856

Database	Data ID
PubChem	1897351

M. W.

257.24144

CAS

Similarity

N/A

ID: 274034

3-(2-methyl-1,3-thiazol-4-yl)propanoic acid

$$$$ Data

M. F.

C7H9NO2S

Suppliers	Catalog Number
Enamine	EN300-75858

Database	Data ID
PubChem	19697485

M. W.

171.21686

CAS

Similarity

N/A

ID: 274035

[3-(cyclohexyloxy)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H20ClNO

Suppliers	Catalog Number
Enamine	EN300-75863

Database	Data ID
PubChem	53524305

M. W.

241.757

CAS

Similarity

N/A

ID: 274036

7-fluoro-8-methylquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C10H7ClFNO2S

Suppliers	Catalog Number
Enamine	EN300-75864

Database	Data ID
PubChem	54593009

M. W.

259.6844832

CAS

Similarity

N/A

ID: 274037

1-(3-methoxyphenyl)propan-2-amine hydrochloride

$$$$ Data

M. F.

C10H16ClNO

Suppliers	Catalog Number
Enamine	EN300-75865

Database	Data ID
PubChem	3029807

M. W.

201.69314

CAS

Similarity

N/A

ID: 274038

S-[2-(aminomethyl)phenyl]-2-hydroxy-N-methylethane-1-sulfonamido hydrochloride

$$$$ Data

M. F.

C10H17ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-75866

Database	Data ID
PubChem	54593010

M. W.

280.77158

CAS

Similarity

N/A

ID: 274039

4-(6-chloropyridine-3-carbonyl)piperazin-2-one

$$$$ Data

M. F.

C10H10ClN3O2

Suppliers	Catalog Number
Enamine	EN300-75867

Database	Data ID
PubChem	18069828

M. W.

239.6583

CAS

Similarity

N/A

ID: 274040

2-(3,4-difluorophenyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C10H12ClF2N

Suppliers	Catalog Number
Enamine	EN300-75868

Database	Data ID
PubChem	44890768

M. W.

219.6587864

CAS

Similarity

N/A

ID: 274041

2-(2-aminophenyl)-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C14H9BrN2O2

Suppliers	Catalog Number
Enamine	EN300-75869

Database	Data ID
PubChem	43345920

M. W.

317.13746

CAS

Similarity

N/A

ID: 274042

N-(1-carbamothioylcyclohexyl)benzamide

$$$$ Data

M. F.

C14H18N2OS

Suppliers	Catalog Number
Enamine	EN300-75870

Database	Data ID
PubChem	51975177

M. W.

262.37052

CAS

Similarity

N/A

ID: 274043

2-(chloromethyl)-6-methoxypyridine hydrochloride

$$$$ Data

M. F.

C7H9Cl2NO

Suppliers	Catalog Number
Enamine	EN300-75871
Bide Pharmatech	BD241130

Database	Data ID
PubChem	54593011

M. W.

194.05846

CAS

864264-99-3

Similarity

N/A

ID: 274044

benzyl N-(1H-pyrazol-5-yl)carbamate

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-75873

Database	Data ID
PubChem	52177679

M. W.

217.22394

CAS

Similarity

N/A

ID: 274045

methyl[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]amine hydrochloride

$$$$ Data

M. F.

C4H10ClN5

Suppliers	Catalog Number
Enamine	EN300-75874

Database	Data ID
PubChem	54593012

M. W.

163.6087

CAS

Similarity

N/A

ID: 274046

2-(chloromethyl)-6-methoxypyridine

$$$$ Data

M. F.

C7H8ClNO

Suppliers	Catalog Number
Enamine	EN300-75876
A&J Pharmtech	AJA-O12639 AJA-O18549

Database	Data ID
PubChem	17854228

M. W.

157.59752

CAS

405103-68-6

Similarity

N/A

ID: 274047

2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

$$$$ Data

M. F.

C8H11NOS

Suppliers	Catalog Number
Enamine	EN300-75880

Database	Data ID
PubChem	14913371

M. W.

169.24404

CAS

Similarity

N/A

ID: 274048

potassium 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate

$$$$ Data

M. F.

C10H6ClKN2O3

Suppliers	Catalog Number
Enamine	EN300-75881

Database	Data ID
PubChem	54593013

M. W.

276.71754

CAS

Similarity

N/A

ID: 274049

4-[(3-methoxypropyl)sulfanyl]aniline

$$$$ Data

M. F.

C10H15NOS

Suppliers	Catalog Number
Enamine	EN300-75882

Database	Data ID
PubChem	51890157

M. W.

197.2972

CAS

Similarity

N/A

ID: 274050

3-(methoxymethyl)phenol

$$$$ Data

M. F.

C8H10O2

Suppliers	Catalog Number
Enamine	EN300-75883

Database	Data ID
PubChem	14090386

M. W.

138.1638

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