Chembase list of 866358 unique molecular structures

2-[(tert-butoxy)carbonyl]cyclohexane-1-carboxylic acid

$$$$

M. F.

C12H20O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17201

Database

Data ID

M. W.

228.2848

CAS

886365-95-3

Similarity

N/A

ID: 801002

(3S)-3-phenylpiperidine

$$$$

M. F.

C11H15N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17202

Database

Data ID

M. W.

161.2435

CAS

59349-71-2

Similarity

N/A

ID: 801003

ethyl 4-[(piperidin-4-yl)amino]benzoate

$$$$

M. F.

C14H20N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17204

Database

Data ID

M. W.

248.3208

CAS

886362-80-7

Similarity

N/A

ID: 801004

7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one

$$$$

M. F.

C14H18N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17205

Database

Data ID

M. W.

230.30552

CAS

886362-81-8

Similarity

N/A

ID: 801005

benzyl (3R)-3-formylpyrrolidine-1-carboxylate

$$$$

M. F.

C13H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17208

Database

Data ID

M. W.

233.2631

CAS

Similarity

N/A

ID: 801006

4-(pyridin-4-yloxy)benzene-1-sulfonic acid

$$$$

M. F.

C11H9NO4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17209

Database

Data ID

M. W.

251.25846

CAS

192329-80-9

Similarity

N/A

ID: 801007

(3S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidine-3-carboxylic acid

$$$$

M. F.

C21H21NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17214

Database

Data ID

M. W.

351.39574

CAS

193693-68-4

Similarity

N/A

ID: 801008

2-amino-3-(3-cyanophenyl)propanoic acid

$$$$

M. F.

C10H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17216

Database

Data ID

M. W.

190.1986

CAS

63999-80-4

Similarity

N/A

ID: 801009

diphenyl butanedioate

$$$$

M. F.

C16H14O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17217

Database

Data ID

M. W.

270.27996

CAS

4036-30-0

Similarity

N/A

ID: 801010

3-[1-(triphenylmethyl)-1H-imidazol-2-yl]propanoic acid

$$$$

M. F.

C25H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17218

Database

Data ID

M. W.

382.45438

CAS

675602-85-4

Similarity

N/A

ID: 801011

2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-one

$$$$

M. F.

C11H11NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17219

Database

Data ID

M. W.

221.20934

CAS

111478-49-0

Similarity

N/A

ID: 801012

3,3-dimethyloxan-2-one

$$$$

M. F.

C7H12O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17220

Database

Data ID

M. W.

128.16898

CAS

4830-05-1

Similarity

N/A

ID: 801013

2,3-dihydro-1,4-benzodioxine-2-carbaldehyde

$$$$

M. F.

C9H8O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17222

Database

Data ID

M. W.

164.15802

CAS

64179-67-5

Similarity

N/A

ID: 801014

(2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid

$$$$

M. F.

C9H9F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17224

Database

Data ID

M. W.

201.1700664

CAS

33787-05-2

Similarity

N/A

ID: 801015

(2R)-2-amino-3-(2,6-difluorophenyl)propanoic acid

$$$$

M. F.

C9H9F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17225

Database

Data ID

M. W.

201.1700664

CAS

266360-62-7

Similarity

N/A

ID: 801016

(2S)-2-amino-3-(2,5-difluorophenyl)propanoic acid

$$$$

M. F.

C9H9F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17233

Database

Data ID

M. W.

201.1700664

CAS

31105-92-7

Similarity

N/A

ID: 801017

ethyl 2-[(2R,3R)-3-{[(tert-butoxy)carbonyl]amino}piperidin-2-yl]acetate

$$$$

M. F.

C14H26N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17234

Database

Data ID

M. W.

286.36724

CAS

Similarity

N/A

ID: 801018

2-ethyl-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one

$$$$

M. F.

C12H14O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17235

Database

Data ID

M. W.

190.23836

CAS

73509-12-3

Similarity

N/A

ID: 801019

(3R)-3-amino-3-(3-fluorophenyl)propanoic acid

$$$$

M. F.

C9H10FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17236

Database

Data ID

M. W.

183.1796032

CAS

723284-81-9

Similarity

N/A

ID: 801020

(3S)-3-amino-3-(4-fluorophenyl)propanoic acid

$$$$

M. F.

C9H10FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17241

Database

Data ID

M. W.

183.1796032

CAS

151911-33-0

Similarity

N/A

ID: 801021

(3R)-3-amino-3-(4-fluorophenyl)propanoic acid

$$$$

M. F.

C9H10FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17242

Database

Data ID

M. W.

183.1796032

CAS

151911-23-8

Similarity

N/A

ID: 801022

(3S)-3-amino-3-(4-fluorophenyl)propan-1-ol

$$$$

M. F.

C9H12FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17243

Database

Data ID

M. W.

169.1960832

CAS

228422-49-9

Similarity

N/A

ID: 801023

(3S)-3-amino-3-(3-fluorophenyl)propan-1-ol

$$$$

M. F.

C9H12FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17245

Database

Data ID

M. W.

169.1960832

CAS

228422-49-9

Similarity

N/A

ID: 801024

3-amino-3-(3-fluorophenyl)propan-1-ol

$$$$

M. F.

C9H12FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17247

Database

Data ID

M. W.

169.1960832

CAS

Similarity

N/A

ID: 801025

3-(4-fluorophenyl)-1H-indole

$$$$

M. F.

C14H10FN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17250

Database

Data ID

M. W.

211.2343032

CAS

101125-32-0

Similarity

N/A

ID: 801026

2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid

$$$$

M. F.

C13H14FNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17251

Database

Data ID

M. W.

251.2535632

CAS

886363-63-9

Similarity

N/A

ID: 801027

(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid hydrochloride

$$$$

M. F.

C5H10ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17256

Database

Data ID

M. W.

167.5908

CAS

142347-81-7

Similarity

N/A

ID: 801028

(3S)-3-amino-4-methylpentanoic acid

$$$$

M. F.

C6H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17257

Database

Data ID

M. W.

131.17292

CAS

40469-85-0

Similarity

N/A

ID: 801029

(3R)-3-amino-4-methylpentanoic acid

$$$$

M. F.

C6H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17259

Database

Data ID

M. W.

131.17292

CAS

75992-50-6

Similarity

N/A

ID: 801030

3-amino-5-phenylpentanoic acid

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17260

Database

Data ID

M. W.

193.2423

CAS

91247-38-0

Similarity

N/A

ID: 801031

(3S)-3-amino-5-phenylpentanoic acid

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17261

Database

Data ID

M. W.

193.2423

CAS

218278-62-7

Similarity

N/A

ID: 801032

ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

$$$$

M. F.

C12H16ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17263

Database

Data ID

M. W.

257.71334

CAS

128073-50-7

Similarity

N/A

ID: 801033

6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

$$$$

M. F.

C10H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17264

Database

Data ID

M. W.

193.19924

CAS

91523-50-1

Similarity

N/A

ID: 801034

6-oxo-1,6-dihydropyridine-3-carbaldehyde

$$$$

M. F.

C6H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17265

Database

Data ID

M. W.

123.1094

CAS

106984-91-2

Similarity

N/A

ID: 801035

N-hydroxy-4-nitrobenzene-1-carboximidamide

$$$$

M. F.

C7H7N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17266

Database

Data ID

M. W.

181.14878

CAS

1613-86-1

Similarity

N/A

ID: 801036

(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid

$$$$

M. F.

C5H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17269

Database

Data ID

M. W.

131.12986

CAS

2584-71-6

Similarity

N/A

ID: 801037

(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

$$$$

M. F.

C11H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17270

Database

Data ID

M. W.

209.2417

CAS

123715-02-6

Similarity

N/A

ID: 801038

(2R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

$$$$

M. F.

C11H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17271

Database

Data ID

M. W.

209.2417

CAS

136771-16-9

Similarity

N/A

ID: 801039

1,2-difluoro-3-iodo-4-methoxybenzene

$$$$

M. F.

C7H5F2IO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17276

Database

Data ID

M. W.

270.0152764

CAS

Similarity

N/A

ID: 801040

1-(1,2-thiazol-5-yl)ethan-1-one

$$$$

M. F.

C5H5NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17277

Database

Data ID

M. W.

127.1643

CAS

3684-00-2

Similarity

N/A

ID: 801041

methyl 1,2-thiazole-5-carboxylate

$$$$

M. F.

C5H5NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17278

Database

Data ID

M. W.

143.1637

CAS

15901-66-3

Similarity

N/A

ID: 801042

methyl 3-oxopiperidine-2-carboxylate hydrochloride

$$$$

M. F.

C7H12ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17282

Database

Data ID

M. W.

193.62808

CAS

Similarity

N/A

ID: 801043

2-ethylpiperidin-3-one hydrochloride

$$$$

M. F.

C7H14ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17284

Database

Data ID

M. W.

163.64516

CAS

Similarity

N/A

ID: 801044

(2R)-2-amino-3,3-dimethylbutanoic acid

$$$$

M. F.

C6H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17285

Database

Data ID

M. W.

131.17292

CAS

26782-71-8

Similarity

N/A

ID: 801045

7-(benzyloxy)-1H-indole-3-carboxylic acid

$$$$

M. F.

C16H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17286

Database

Data ID

M. W.

267.27932

CAS

24370-75-0

Similarity

N/A

ID: 801046

3-methylpiperidin-4-one hydrochloride

$$$$

M. F.

C6H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17288

Database

Data ID

M. W.

149.61858

CAS

4629-78-1

Similarity

N/A

ID: 801047

1-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid

$$$$

M. F.

C10H17NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17292

Database

Data ID

M. W.

215.24628

CAS

886366-35-4

Similarity

N/A

ID: 801048

6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

$$$$

M. F.

C11H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17293

Database

Data ID

M. W.

207.22582

CAS

Similarity

N/A

ID: 801049

4-methoxy-1H-indole-3-carboxylic acid

$$$$

M. F.

C10H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17298

Database

Data ID

M. W.

191.18336

CAS

203937-50-2

Similarity

N/A

ID: 801050

methyl (2R)-aziridine-2-carboxylate

$$$$

M. F.

C4H7NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O17299

Database

Data ID

M. W.

101.10388

CAS

103539-32-8

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