Chembase list of 866358 unique molecular structures

2'-chloro-7',8'-dihydro-5'H-spiro[1,3-dioxolane-2,6'-quinazoline]

$$$$

M. F.

C10H11ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36243

Database

Data ID

M. W.

226.65954

CAS

1196147-79-1

Similarity

N/A

ID: 814102

3-bromo-5,6,7,8-tetrahydroquinolin-6-one

$$$$

M. F.

C9H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36244

Database

Data ID

M. W.

226.06992

CAS

1196157-23-9

Similarity

N/A

ID: 814103

ethyl 2-chloro-6-oxo-5,6,7,8-tetrahydroquinazoline-4-carboxylate

$$$$

M. F.

C11H11ClN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36245

Database

Data ID

M. W.

254.66964

CAS

1196154-05-8

Similarity

N/A

ID: 814104

ethyl 6-oxo-5,6,7,8-tetrahydroquinazoline-4-carboxylate

$$$$

M. F.

C11H12N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36246

Database

Data ID

M. W.

220.22458

CAS

1196156-43-0

Similarity

N/A

ID: 814105

4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine

$$$$

M. F.

C7H4Cl2F3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36248

Database

Data ID

M. W.

230.0145696

CAS

1196157-25-1

Similarity

N/A

ID: 814106

4-bromo-2-(chloromethyl)-6-(trifluoromethyl)pyridine

$$$$

M. F.

C7H4BrClF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36249

Database

Data ID

M. W.

274.4655696

CAS

1196147-43-9

Similarity

N/A

ID: 814107

[4-chloro-6-(trifluoromethyl)pyridin-2-yl]methanamine

$$$$

M. F.

C7H6ClF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36250

Database

Data ID

M. W.

210.5841496

CAS

1196154-09-2

Similarity

N/A

ID: 814108

[4-bromo-6-(trifluoromethyl)pyridin-2-yl]methanamine

$$$$

M. F.

C7H6BrF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36251

Database

Data ID

M. W.

255.0351496

CAS

1196153-70-4

Similarity

N/A

ID: 814109

4-bromo-6-(trifluoromethyl)pyridin-2-amine

$$$$

M. F.

C6H4BrF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36252

Database

Data ID

M. W.

241.0085696

CAS

1196147-49-5

Similarity

N/A

ID: 814110

4-chloro-6-(trifluoromethyl)pyridin-2-amine

$$$$

M. F.

C6H4ClF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36253

Database

Data ID

M. W.

196.5575696

CAS

117519-06-9

Similarity

N/A

ID: 814111

4-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid

$$$$

M. F.

C8H6F3NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36254

Database

Data ID

M. W.

221.1333496

CAS

1196157-28-4

Similarity

N/A

ID: 814112

4-(dimethylamino)-6-(trifluoromethyl)pyridine-2-carboxylic acid

$$$$

M. F.

C9H9F3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36255

Database

Data ID

M. W.

234.1751696

CAS

1196153-75-9

Similarity

N/A

ID: 814113

4-bromo-2,6-bis(trifluoromethyl)pyridine

$$$$

M. F.

C7H2BrF6N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36256

Database

Data ID

M. W.

293.9918992

CAS

134914-92-4

Similarity

N/A

ID: 814114

2,6-bis(trifluoromethyl)pyridin-4-ol

$$$$

M. F.

C7H3F6NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36257

Database

Data ID

M. W.

231.0952392

CAS

43150-55-6

Similarity

N/A

ID: 814115

1-chloro-7-methoxyisoquinoline

$$$$

M. F.

C10H8ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36259

Database

Data ID

M. W.

193.62962

CAS

53533-54-3

Similarity

N/A

ID: 814116

7-methoxyisoquinolin-1-amine

$$$$

M. F.

C10H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36260

Database

Data ID

M. W.

174.1992

CAS

42398-75-4

Similarity

N/A

ID: 814117

6-fluoroisoquinolin-1-amine

$$$$

M. F.

C9H7FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36261

Database

Data ID

M. W.

162.1636832

CAS

1009034-72-3

Similarity

N/A

ID: 814118

1-chloro-7-(trifluoromethyl)isoquinoline

$$$$

M. F.

C10H5ClF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36262

Database

Data ID

M. W.

231.6016096

CAS

1196154-02-5

Similarity

N/A

ID: 814119

7-(trifluoromethyl)isoquinolin-1-amine

$$$$

M. F.

C10H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36263

Database

Data ID

M. W.

212.1711896

CAS

1196147-73-5

Similarity

N/A

ID: 814120

6-(trifluoromethyl)isoquinolin-1-amine

$$$$

M. F.

C10H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36264

Database

Data ID

M. W.

212.1711896

CAS

1196157-31-9

Similarity

N/A

ID: 814121

1-chloro-6-(trifluoromethyl)isoquinoline

$$$$

M. F.

C10H5ClF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36265

Database

Data ID

M. W.

231.6016096

CAS

1196152-92-7

Similarity

N/A

ID: 814122

(1-oxo-1,2-dihydroisoquinolin-6-yl)boronic acid

$$$$

M. F.

C9H8BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36266

Database

Data ID

M. W.

188.97572

CAS

376584-82-6

Similarity

N/A

ID: 814123

(1-oxo-1,2-dihydroisoquinolin-7-yl)boronic acid

$$$$

M. F.

C9H8BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36267

Database

Data ID

M. W.

188.97572

CAS

Similarity

N/A

ID: 814124

5-methoxyisoquinolin-1-amine

$$$$

M. F.

C10H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36268

Database

Data ID

M. W.

174.1992

CAS

1196152-25-6

Similarity

N/A

ID: 814125

6,7-difluoro-1,2-dihydroisoquinolin-1-one

$$$$

M. F.

C9H5F2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36269

Database

Data ID

M. W.

181.1389064

CAS

444898-79-7

Similarity

N/A

ID: 814126

5,7-difluoro-1,2-dihydroisoquinolin-1-one

$$$$

M. F.

C9H5F2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36270

Database

Data ID

M. W.

181.1389064

CAS

475994-56-0

Similarity

N/A

ID: 814127

5,7-dichloro-1,2-dihydroisoquinolin-1-one

$$$$

M. F.

C9H5Cl2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36271

Database

Data ID

M. W.

214.0481

CAS

143074-76-4

Similarity

N/A

ID: 814128

5-bromo-2-(trifluoromethyl)pyridin-4-ol

$$$$

M. F.

C6H3BrF3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36272

Database

Data ID

M. W.

241.9933296

CAS

1196156-74-7

Similarity

N/A

ID: 814129

6-(trifluoromethyl)pyridine-3,4-diol

$$$$

M. F.

C6H4F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36273

Database

Data ID

M. W.

179.0966696

CAS

1196152-30-3

Similarity

N/A

ID: 814130

ethyl 4-hydroxy-5-nitropyridine-2-carboxylate

$$$$

M. F.

C8H8N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36274

Database

Data ID

M. W.

212.15952

CAS

1196157-33-1

Similarity

N/A

ID: 814131

ethyl 5-amino-4-hydroxypyridine-2-carboxylate

$$$$

M. F.

C8H10N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36275

Database

Data ID

M. W.

182.1766

CAS

1196156-79-2

Similarity

N/A

ID: 814132

ethyl 5-amino-4-chloropyridine-2-carboxylate

$$$$

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36276

Database

Data ID

M. W.

200.62226

CAS

1196156-76-9

Similarity

N/A

ID: 814133

ethyl 4-chloro-5-nitropyridine-2-carboxylate

$$$$

M. F.

C8H7ClN2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36277

Database

Data ID

M. W.

230.60518

CAS

1196152-94-9

Similarity

N/A

ID: 814134

2-(5-methylpyrazin-2-yl)ethan-1-amine

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36279

Database

Data ID

M. W.

137.18234

CAS

1196153-02-2

Similarity

N/A

ID: 814135

2-(5-chloropyrazin-2-yl)ethan-1-amine

$$$$

M. F.

C6H8ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36280

Database

Data ID

M. W.

157.60082

CAS

1196151-14-0

Similarity

N/A

ID: 814136

1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole

$$$$

M. F.

C9H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36281

Database

Data ID

M. W.

238.08392

CAS

1196153-07-7

Similarity

N/A

ID: 814137

1-[(3-bromophenyl)methyl]-1H-1,2,3-triazole

$$$$

M. F.

C9H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36282

Database

Data ID

M. W.

238.08392

CAS

63777-95-7

Similarity

N/A

ID: 814138

1-(3-bromophenyl)-1H-1,2,3-triazole

$$$$

M. F.

C8H6BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36283

Database

Data ID

M. W.

224.05734

CAS

85862-62-0

Similarity

N/A

ID: 814139

1-(4-bromophenyl)-1H-1,2,3-triazole

$$$$

M. F.

C8H6BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36284

Database

Data ID

M. W.

224.05734

CAS

20320-17-6

Similarity

N/A

ID: 814140

[4-(1H-1,2,3-triazol-1-yl)phenyl]boronic acid

$$$$

M. F.

C8H8BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36285

Database

Data ID

M. W.

188.97902

CAS

1228182-97-5

Similarity

N/A

ID: 814141

[3-(1H-1,2,3-triazol-1-yl)phenyl]boronic acid

$$$$

M. F.

C8H8BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36286

Database

Data ID

M. W.

188.97902

CAS

Similarity

N/A

ID: 814142

tert-butyl 2-ethynylpiperidine-1-carboxylate

$$$$

M. F.

C12H19NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36287

Database

Data ID

M. W.

209.28476

CAS

255864-58-5

Similarity

N/A

ID: 814143

1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

$$$$

M. F.

C6H10N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36288

Database

Data ID

M. W.

138.1704

CAS

169750-38-3

Similarity

N/A

ID: 814144

1-(pyrrolidin-3-yl)-1H-pyrazole

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36289

Database

Data ID

M. W.

137.18234

CAS

1196156-80-5

Similarity

N/A

ID: 814145

1-[(3S)-pyrrolidin-3-yl]-1H-1,2,3-triazole

$$$$

M. F.

C6H10N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36290

Database

Data ID

M. W.

138.1704

CAS

759431-59-9

Similarity

N/A

ID: 814146

1-[(3R)-pyrrolidin-3-yl]-1H-1,2,3-triazole

$$$$

M. F.

C6H10N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36291

Database

Data ID

M. W.

138.1704

CAS

742673-23-0

Similarity

N/A

ID: 814147

1-[(3R)-pyrrolidin-3-yl]-1H-pyrazole

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36292

Database

Data ID

M. W.

137.18234

CAS

917560-79-3

Similarity

N/A

ID: 814148

1-[(3S)-pyrrolidin-3-yl]-1H-pyrazole

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36293

Database

Data ID

M. W.

137.18234

CAS

1246543-31-6

Similarity

N/A

ID: 814149

1-[(3S)-pyrrolidin-3-yl]-1H-imidazole

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36294

Database

Data ID

M. W.

137.18234

CAS

147081-64-9

Similarity

N/A

ID: 814150

1-[(3R)-pyrrolidin-3-yl]-1H-imidazole

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36295

Database

Data ID

M. W.

137.18234

CAS

153836-67-0

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