Chembase list of 866358 unique molecular structures

$$$$

M. F.

C11H14O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13968

Database

Data ID

M. W.

178.22766

CAS

13490-69-2

Similarity

N/A

ID: 799402

(2S)-2-(4-chlorophenyl)-3-methylbutanoic acid

$$$$

M. F.

C11H13ClO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13969

Database

Data ID

M. W.

212.67272

CAS

55332-38-2

Similarity

N/A

ID: 799403

(4R)-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

$$$$

M. F.

C9H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O24522 AJA-O13970

Database

Data ID

M. W.

185.65068

CAS

730980-59-3

Similarity

N/A

ID: 799404

(1R)-2,2,2-trifluoro-1-phenylethan-1-amine

$$$$

M. F.

C8H8F3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30045 AJA-O13971

Database

Data ID

M. W.

175.1510296

CAS

22038-85-3

Similarity

N/A

ID: 799405

(1S)-2,2,2-trifluoro-1-phenylethan-1-amine

$$$$

M. F.

C8H8F3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30046 AJA-O13972

Database

Data ID

M. W.

175.1510296

CAS

14395-53-0

Similarity

N/A

ID: 799406

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethan-1-amine

$$$$

M. F.

C8H7ClF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13973 AJA-O24777

Database

Data ID

M. W.

209.5960896

CAS

1187931-01-6

Similarity

N/A

ID: 799407

5-[(4-bromophenyl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C9H9BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13974

Database

Data ID

M. W.

253.09856

CAS

502685-91-8

Similarity

N/A

ID: 799408

5-[(3-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C10H12N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13977

Database

Data ID

M. W.

204.22848

CAS

54464-13-0

Similarity

N/A

ID: 799409

5-[(2-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C10H12N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13978

Database

Data ID

M. W.

204.22848

CAS

502685-70-3

Similarity

N/A

ID: 799410

5-[(4-methylphenyl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C10H12N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13981

Database

Data ID

M. W.

188.22908

CAS

502685-85-0

Similarity

N/A

ID: 799411

5-[(3-methylphenyl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C10H12N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13982

Database

Data ID

M. W.

188.22908

CAS

502685-82-7

Similarity

N/A

ID: 799412

5-[(2-methylphenyl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C10H12N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13983

Database

Data ID

M. W.

188.22908

CAS

502685-45-2

Similarity

N/A

ID: 799413

5-(1-benzyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C12H12N6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13988

Database

Data ID

M. W.

240.26388

CAS

Similarity

N/A

ID: 799414

1-bromo-2-cyclopropylbenzene

$$$$

M. F.

C9H9Br

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13991

Database

Data ID

M. W.

197.07176

CAS

57807-28-0

Similarity

N/A

ID: 799415

2-(3-bromophenyl)propan-2-amine

$$$$

M. F.

C9H12BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13994

Database

Data ID

M. W.

214.10228

CAS

74702-93-5

Similarity

N/A

ID: 799416

(2-cyclopropylphenyl)methanamine hydrochloride

$$$$

M. F.

C10H14ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13996

Database

Data ID

M. W.

183.67786

CAS

Similarity

N/A

ID: 799417

(3-cyclopropylphenyl)methanamine

$$$$

M. F.

C10H13N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13997

Database

Data ID

M. W.

147.21692

CAS

852877-59-9

Similarity

N/A

ID: 799418

(4-cyclopropylphenyl)methanamine

$$$$

M. F.

C10H13N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13998

Database

Data ID

M. W.

147.21692

CAS

118184-67-1

Similarity

N/A

ID: 799419

3-phenyloxolan-3-amine

$$$$

M. F.

C10H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14001

Database

Data ID

M. W.

163.21632

CAS

Similarity

N/A

ID: 799420

3-(4-bromophenyl)oxolan-3-amine

$$$$

M. F.

C10H12BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14002

Database

Data ID

M. W.

242.11238

CAS

Similarity

N/A

ID: 799421

3-(2-bromophenyl)oxolan-3-amine

$$$$

M. F.

C10H12BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14003

Database

Data ID

M. W.

242.11238

CAS

Similarity

N/A

ID: 799422

1-bromo-2-(1-methylcyclopropyl)benzene

$$$$

M. F.

C10H11Br

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14004

Database

Data ID

M. W.

211.09834

CAS

Similarity

N/A

ID: 799423

1-bromo-4-(1-methylcyclopropyl)benzene

$$$$

M. F.

C10H11Br

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14005

Database

Data ID

M. W.

211.09834

CAS

40780-08-3

Similarity

N/A

ID: 799424

4-cyclopropylbenzoic acid

$$$$

M. F.

C10H10O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14006

Database

Data ID

M. W.

162.1852

CAS

1798-82-9

Similarity

N/A

ID: 799425

tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate

$$$$

M. F.

C9H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14009

Database

Data ID

M. W.

202.25082

CAS

Similarity

N/A

ID: 799426

tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate

$$$$

M. F.

C9H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14010

Database

Data ID

M. W.

202.25082

CAS

190792-74-6

Similarity

N/A

ID: 799427

(2S)-2-(fluoromethyl)pyrrolidine hydrochloride

$$$$

M. F.

C5H11ClFN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14011

Database

Data ID

M. W.

139.5989432

CAS

787564-55-0

Similarity

N/A

ID: 799428

tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate

$$$$

M. F.

C10H17NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14012

Database

Data ID

M. W.

199.24688

CAS

Similarity

N/A

ID: 799429

(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione

$$$$

M. F.

C11H11NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14013

Database

Data ID

M. W.

221.20934

CAS

75172-31-5

Similarity

N/A

ID: 799430

(3S,4S)-1-benzylpyrrolidine-3,4-diol

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14014

Database

Data ID

M. W.

193.2423

CAS

90365-74-5

Similarity

N/A

ID: 799431

tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate

$$$$

M. F.

C16H24N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14015

Database

Data ID

M. W.

292.37336

CAS

429673-83-6

Similarity

N/A

ID: 799432

tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate

$$$$

M. F.

C16H24N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14016

Database

Data ID

M. W.

292.37336

CAS

Similarity

N/A

ID: 799433

benzyl 2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate

$$$$

M. F.

C13H16FNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14018 AJA-O14017

Database

Data ID

M. W.

253.2694432

CAS

Similarity

N/A

ID: 799434

tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate

$$$$

M. F.

C10H19NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14019 AJA-O14020

Database

Data ID

M. W.

201.26276

CAS

114676-93-6

Similarity

N/A

ID: 799435

2-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]acetic acid

$$$$

M. F.

C6H11NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14021

Database

Data ID

M. W.

161.15584

CAS

Similarity

N/A

ID: 799436

2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]acetic acid

$$$$

M. F.

C6H9F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14028 AJA-O14022

Database

Data ID

M. W.

165.1379664

CAS

Similarity

N/A

ID: 799437

2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethan-1-ol

$$$$

M. F.

C6H11F2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14023

Database

Data ID

M. W.

151.1544464

CAS

871822-43-4

Similarity

N/A

ID: 799438

(3S,4S)-pyrrolidine-3,4-diol hydrochloride

$$$$

M. F.

C4H10ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14024

Database

Data ID

M. W.

139.5807

CAS

276862-76-1

Similarity

N/A

ID: 799439

[(3S)-pyrrolidin-3-yl]methanol

$$$$

M. F.

C5H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14025

Database

Data ID

M. W.

101.14694

CAS

110013-19-9

Similarity

N/A

ID: 799440

[(3R)-pyrrolidin-3-yl]methanol

$$$$

M. F.

C5H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14026

Database

Data ID

M. W.

101.14694

CAS

110013-18-8

Similarity

N/A

ID: 799441

methyl 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]acetate

$$$$

M. F.

C7H11F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14027

Database

Data ID

M. W.

179.1645464

CAS

Similarity

N/A

ID: 799442

2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethan-1-amine

$$$$

M. F.

C6H12F2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14029

Database

Data ID

M. W.

150.1696864

CAS

1260592-78-6

Similarity

N/A

ID: 799443

(2S)-1-[(tert-butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic acid

$$$$

M. F.

C10H15NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14030

Database

Data ID

M. W.

229.2298

CAS

84348-37-8

Similarity

N/A

ID: 799444

(2S,4S)-1-[(tert-butoxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

$$$$

M. F.

C10H17NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14031 AJA-O15801

Database

Data ID

M. W.

231.24568

CAS

87691-27-8

Similarity

N/A

ID: 799445

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic...

$$$$

M. F.

C12H21NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14032

Database

Data ID

M. W.

259.29884

CAS

173913-66-1

Similarity

N/A

ID: 799446

(2S,4S)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid

$$$$

M. F.

C10H16FNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14033

Database

Data ID

M. W.

233.2367432

CAS

203866-13-1

Similarity

N/A

ID: 799447

(2S)-1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid

$$$$

M. F.

C10H15F2NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14034

Database

Data ID

M. W.

251.2272064

CAS

203866-15-3

Similarity

N/A

ID: 799448

tert-butyl (2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C10H17F2NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14035

Database

Data ID

M. W.

237.2436864

CAS

215918-21-1

Similarity

N/A

ID: 799449

(2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethylpyrrolidine-2-carboxylic acid

$$$$

M. F.

C12H21NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14036

Database

Data ID

M. W.

243.29944

CAS

174060-98-1

Similarity

N/A

ID: 799450

tert-butyl (2S)-2-(bromomethyl)-4,4-difluoropyrrolidine-1-carboxylate

$$$$

M. F.

C10H16BrF2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O14037

Database

Data ID

M. W.

300.1403464

CAS

1279894-15-3

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