Chembase list of 866358 unique molecular structures

3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-...

$$$$

M. F.

C21H22Cl2FN5O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9976

Database

Data ID

M. W.

450.3366832

CAS

877399-52-5

Similarity

N/A

ID: 797902

2,3-dimethyl-2H-indazol-6-amine hydrochloride

$$$$

M. F.

C9H12ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9977

Database

Data ID

M. W.

197.66468

CAS

635702-60-2

Similarity

N/A

ID: 797903

5-({4-[(2,3-dimethyl-3,3a-dihydro-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}a...

$$$$

M. F.

C21H25N7O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9978

Database

Data ID

M. W.

439.5339

CAS

444731-52-6

Similarity

N/A

ID: 797904

[3-(dimethylamino)propyl](propyl)amine

$$$$

M. F.

C8H20N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9984

Database

Data ID

M. W.

144.2578

CAS

19745-28-6

Similarity

N/A

ID: 797905

(1S)-1-(4-bromophenyl)ethan-1-amine

$$$$

M. F.

C8H10BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9985 AJA-O13477

Database

Data ID

M. W.

200.0757

CAS

27298-97-1

Similarity

N/A

ID: 797906

tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate

$$$$

M. F.

C13H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9986 AJA-O13478

Database

Data ID

M. W.

300.19152

CAS

847728-89-6

Similarity

N/A

ID: 797907

2-(4-chlorophenyl)propanedioic acid

$$$$

M. F.

C9H7ClO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9987 AJA-O13479

Database

Data ID

M. W.

214.60248

CAS

19677-37-3

Similarity

N/A

ID: 797908

triethyl({[methoxy(oxido)methylidene]amino}sulfonyl)azanium

$$$$

M. F.

C8H18N2O4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O9994 AJA-O13490

Database

Data ID

M. W.

238.30452

CAS

29684-56-8

Similarity

N/A

ID: 797909

(3R)-oxan-3-amine hydrochloride

$$$$

M. F.

C5H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10000 AJA-O13498

Database

Data ID

M. W.

137.60788

CAS

1071829-82-7

Similarity

N/A

ID: 797910

(3S)-oxan-3-amine hydrochloride

$$$$

M. F.

C5H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10001

Database

Data ID

M. W.

137.60788

CAS

1071829-81-6

Similarity

N/A

ID: 797911

1-[(tert-butoxy)carbonyl]cyclopropane-1-carboxylic acid

$$$$

M. F.

C9H14O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10002 AJA-O13500

Database

Data ID

M. W.

186.20506

CAS

88950-64-5

Similarity

N/A

ID: 797912

tert-butyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate

$$$$

M. F.

C13H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10003 AJA-O13501

Database

Data ID

M. W.

300.19152

CAS

1187932-11-1

Similarity

N/A

ID: 797913

2-(dimethylamino)acetohydrazide hydrochloride

$$$$

M. F.

C4H12ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10008 AJA-O13506

Database

Data ID

M. W.

153.61058

CAS

539-64-0

Similarity

N/A

ID: 797914

(1S)-1-(pyridin-3-yl)ethan-1-amine

$$$$

M. F.

C7H10N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10013 AJA-O13511 AJA-O21721

Database

Data ID

M. W.

122.1677

CAS

27854-93-9

Similarity

N/A

ID: 797915

(4R)-4-amino-4-phenylbutanoic acid

$$$$

M. F.

C10H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13513 AJA-O10014

Database

Data ID

M. W.

179.21572

CAS

201863-97-0

Similarity

N/A

ID: 797916

ethyl 2-[(3Z)-piperidin-3-ylidene]acetate hydrochloride

$$$$

M. F.

C9H16ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13516 AJA-O10016

Database

Data ID

M. W.

205.68184

CAS

1358679-89-6

Similarity

N/A

ID: 797917

6-amino-2,3-dihydro-1H-indazol-3-one hydrochloride

$$$$

M. F.

C7H8ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10020

Database

Data ID

M. W.

185.61092

CAS

220991-84-4

Similarity

N/A

ID: 797918

tert-butyl N-ethynylcarbamate

$$$$

M. F.

C7H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10025

Database

Data ID

M. W.

141.16774

CAS

121010-86-4

Similarity

N/A

ID: 797919

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

$$$$

M. F.

C9H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10026

Database

Data ID

M. W.

185.65068

CAS

59108-54-2

Similarity

N/A

ID: 797920

2-(methoxymethyl)pyrimidin-4-amine

$$$$

M. F.

C6H9N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10028

Database

Data ID

M. W.

139.15516

CAS

3122-85-8

Similarity

N/A

ID: 797921

tert-butyl (3R)-3-aminoazepane-1-carboxylate

$$$$

M. F.

C11H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10030

Database

Data ID

M. W.

214.30458

CAS

1032684-85-7

Similarity

N/A

ID: 797922

tert-butyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C10H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13901 AJA-O10031

Database

Data ID

M. W.

264.15942

CAS

1067230-64-1

Similarity

N/A

ID: 797923

(2S)-1-phenylbut-3-en-2-amine hydrochloride

$$$$

M. F.

C10H14ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10034

Database

Data ID

M. W.

183.67786

CAS

1448-55-7

Similarity

N/A

ID: 797924

methyl 5-chloro-4-nitrothiophene-2-carboxylate

$$$$

M. F.

C6H4ClNO4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10035

Database

Data ID

M. W.

221.61826

CAS

57800-76-7

Similarity

N/A

ID: 797925

methyl 5-amino-4-nitrothiophene-2-carboxylate

$$$$

M. F.

C6H6N2O4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10036

Database

Data ID

M. W.

202.18784

CAS

106850-17-3

Similarity

N/A

ID: 797926

2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride

$$$$

M. F.

C15H23ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10040

Database

Data ID

M. W.

282.80892

CAS

105310-47-2

Similarity

N/A

ID: 797927

methyl 5-fluoropyrimidine-2-carboxylate

$$$$

M. F.

C6H5FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10041

Database

Data ID

M. W.

156.1145032

CAS

1227575-47-4

Similarity

N/A

ID: 797928

(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-amine hydrochloride

$$$$

M. F.

C10H10ClF6N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10045

Database

Data ID

M. W.

293.6365192

CAS

127733-40-8

Similarity

N/A

ID: 797929

5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid

$$$$

M. F.

C6H9N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10051

Database

Data ID

M. W.

171.15396

CAS

58046-50-7

Similarity

N/A

ID: 797930

methyl 5-amino-2-nitrobenzoate

$$$$

M. F.

C8H8N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10063

Database

Data ID

M. W.

196.16012

CAS

35998-96-0

Similarity

N/A

ID: 797931

ethyl 4-cyclopropyl-1,3-thiazole-2-carboxylate

$$$$

M. F.

C9H11NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10064

Database

Data ID

M. W.

197.25414

CAS

439692-05-4

Similarity

N/A

ID: 797932

4-(2-fluoropropan-2-yl)pyrimidine-5-carbonitrile

$$$$

M. F.

C8H8FN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10065

Database

Data ID

M. W.

165.1676232

CAS

1427195-26-3

Similarity

N/A

ID: 797933

2-bromo-1-(pyrimidin-4-yl)ethan-1-one

$$$$

M. F.

C6H5BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10066

Database

Data ID

M. W.

201.0207

CAS

845504-81-6

Similarity

N/A

ID: 797934

tert-butyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate

$$$$

M. F.

C11H17NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10067

Database

Data ID

M. W.

211.25758

CAS

663172-80-3

Similarity

N/A

ID: 797935

tert-butyl N-[(1S)-1-(3-bromophenyl)ethyl]carbamate

$$$$

M. F.

C13H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10070

Database

Data ID

M. W.

300.19152

CAS

477312-85-9

Similarity

N/A

ID: 797936

tert-butyl N-[(1R)-1-(3-bromophenyl)ethyl]carbamate

$$$$

M. F.

C13H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10071

Database

Data ID

M. W.

300.19152

CAS

1187932-25-7

Similarity

N/A

ID: 797937

(1S)-1-(3-bromophenyl)ethan-1-amine hydrochloride

$$$$

M. F.

C8H11BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10072

Database

Data ID

M. W.

236.53664

CAS

139305-96-7

Similarity

N/A

ID: 797938

7-bromo-2-methylquinazoline

$$$$

M. F.

C9H7BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10073

Database

Data ID

M. W.

223.06928

CAS

552331-87-0

Similarity

N/A

ID: 797939

tert-butyl 3-(aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$

M. F.

C15H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10093

Database

Data ID

M. W.

262.34738

CAS

Similarity

N/A

ID: 797940

tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate

$$$$

M. F.

C10H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10094

Database

Data ID

M. W.

214.26152

CAS

221874-51-7

Similarity

N/A

ID: 797941

tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate

$$$$

M. F.

C10H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10095

Database

Data ID

M. W.

214.26152

CAS

92235-39-7

Similarity

N/A

ID: 797942

(3S)-3-aminopiperidin-2-one hydrochloride

$$$$

M. F.

C5H11ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10096

Database

Data ID

M. W.

150.60664

CAS

42538-31-8

Similarity

N/A

ID: 797943

(3-fluoro-2-nitrophenyl)methanol

$$$$

M. F.

C7H6FNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10098

Database

Data ID

M. W.

171.1258432

CAS

1214323-11-1

Similarity

N/A

ID: 797944

3-aminocyclohexan-1-one hydrochloride

$$$$

M. F.

C6H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10101

Database

Data ID

M. W.

149.61858

CAS

149520-74-1

Similarity

N/A

ID: 797945

benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate

$$$$

M. F.

C13H16N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10102

Database

Data ID

M. W.

248.27774

CAS

76003-30-0

Similarity

N/A

ID: 797946

benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate

$$$$

M. F.

C13H16N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10103

Database

Data ID

M. W.

248.27774

CAS

Similarity

N/A

ID: 797947

4-chloro-3-fluoro-2-iodoaniline

$$$$

M. F.

C6H4ClFIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18266 AJA-O10105

Database

Data ID

M. W.

271.4585332

CAS

1018450-37-7

Similarity

N/A

ID: 797948

(4-bromonaphthalen-1-yl)methanol

$$$$

M. F.

C11H9BrO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10113

Database

Data ID

M. W.

237.09256

CAS

56052-26-7

Similarity

N/A

ID: 797949

1-chloro-4-(1-phenylethenyl)benzene

$$$$

M. F.

C14H11Cl

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10115

Database

Data ID

M. W.

214.69014

CAS

18218-20-7

Similarity

N/A

ID: 797950

2-ethoxy-5-[(pyrrolidine-1-carbonyl)amino]benzene-1-sulfonyl chloride

$$$$

M. F.

C13H17ClN2O4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O10116

Database

Data ID

M. W.

332.80308

CAS

680618-12-6

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