Chembase list of 866358 unique molecular structures

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(trifluoromethyl)phenyl]propanoic aci...

$$$$

M. F.

C15H18F3NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40122

Database

Data ID

M. W.

333.3029296

CAS

114873-07-3

Similarity

N/A

ID: 816202

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethyl)phenyl]...

$$$$

M. F.

C25H20F3NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40124

Database

Data ID

M. W.

455.4258096

CAS

247113-86-6

Similarity

N/A

ID: 816203

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(3S,4S,5R,6R)-2,3,5-trih...

$$$$

M. F.

C14H25NO11

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40125

Database

Data ID

M. W.

383.3484

CAS

210036-24-1

Similarity

N/A

ID: 816204

tert-butyl 1-aminopiperidine-4-carboxylate

$$$$

M. F.

C10H20N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40128

Database

Data ID

M. W.

200.278

CAS

73874-95-0

Similarity

N/A

ID: 816205

2-(2-chlorophenyl)piperazine

$$$$

M. F.

C10H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40133

Database

Data ID

M. W.

196.67662

CAS

65709-26-4

Similarity

N/A

ID: 816206

2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-one

$$$$

M. F.

C7H4F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40140

Database

Data ID

M. W.

175.1079696

CAS

33284-21-8

Similarity

N/A

ID: 816207

rel-(1R,2S)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid

$$$$

M. F.

C15H18O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40144

Database

Data ID

M. W.

246.30162

CAS

107147-13-7

Similarity

N/A

ID: 816208

rel-(1R,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid

$$$$

M. F.

C15H18O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40145

Database

Data ID

M. W.

246.30162

CAS

151830-92-1

Similarity

N/A

ID: 816209

rel-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid

$$$$

M. F.

C14H15FO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40146

Database

Data ID

M. W.

250.2655032

CAS

154810-33-0

Similarity

N/A

ID: 816210

[2-(cyclohexylamino)phenyl]methanol

$$$$

M. F.

C13H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40147

Database

Data ID

M. W.

205.29606

CAS

195190-88-6

Similarity

N/A

ID: 816211

rel-(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid

$$$$

M. F.

C11H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40148

Database

Data ID

M. W.

229.27286

CAS

136315-70-3

Similarity

N/A

ID: 816212

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-chlorophenyl)propanoic acid

$$$$

M. F.

C14H18ClNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40155

Database

Data ID

M. W.

299.75002

CAS

80102-23-4

Similarity

N/A

ID: 816213

1-[(2-bromophenyl)methyl]-4-methylpiperazine

$$$$

M. F.

C12H17BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40163

Database

Data ID

M. W.

269.18078

CAS

91560-85-9

Similarity

N/A

ID: 816214

1-[(3-bromophenyl)methyl]-4-methylpiperazine

$$$$

M. F.

C12H17BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40165

Database

Data ID

M. W.

269.18078

CAS

331977-03-8

Similarity

N/A

ID: 816215

1-[(4-bromophenyl)methyl]-4-methylpiperazine

$$$$

M. F.

C12H17BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40166

Database

Data ID

M. W.

269.18078

CAS

368879-17-8

Similarity

N/A

ID: 816216

6-bromo-2-methylquinolin-4-amine

$$$$

M. F.

C10H9BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40167

Database

Data ID

M. W.

237.09586

CAS

96938-26-0

Similarity

N/A

ID: 816217

trimethyl-4H-1,2,4-triazole

$$$$

M. F.

C5H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40169

Database

Data ID

M. W.

111.14506

CAS

16759-45-8

Similarity

N/A

ID: 816218

3-[(4-chlorophenyl)amino]propanoic acid

$$$$

M. F.

C9H10ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40177

Database

Data ID

M. W.

199.6342

CAS

21617-19-6

Similarity

N/A

ID: 816219

2-chloro-6-methylpyrimidine-4-carboxylic acid

$$$$

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40178

Database

Data ID

M. W.

172.5691

CAS

89581-58-8

Similarity

N/A

ID: 816220

(3-propylphenyl)hydrazine hydrochloride

$$$$

M. F.

C9H15ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40180

Database

Data ID

M. W.

186.6818

CAS

306937-28-0

Similarity

N/A

ID: 816221

8-nitroquinazolin-4-ol

$$$$

M. F.

C8H5N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40185

Database

Data ID

M. W.

191.1436

CAS

53638-54-3

Similarity

N/A

ID: 816222

2-bromo-6-(tert-butoxy)pyridine

$$$$

M. F.

C9H12BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40188

Database

Data ID

M. W.

230.10168

CAS

949160-14-9

Similarity

N/A

ID: 816223

2-amino-5-bromobenzene-1-thiol

$$$$

M. F.

C6H6BrNS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40195

Database

Data ID

M. W.

204.08754

CAS

23451-95-8

Similarity

N/A

ID: 816224

ethyl 5-chloro-4-hydroxy-8-methylquinoline-3-carboxylate

$$$$

M. F.

C13H12ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40199

Database

Data ID

M. W.

265.69228

CAS

351893-52-2

Similarity

N/A

ID: 816225

4-(4-chlorophenyl)-5-methyl-1H-imidazole

$$$$

M. F.

C10H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40208

Database

Data ID

M. W.

192.64486

CAS

65571-68-8

Similarity

N/A

ID: 816226

[2-(4-methoxyphenyl)ethyl](methyl)amine

$$$$

M. F.

C10H15NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40211

Database

Data ID

M. W.

165.2322

CAS

4091-50-3

Similarity

N/A

ID: 816227

4-(3-aminopropyl)phenol

$$$$

M. F.

C9H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40212

Database

Data ID

M. W.

151.20562

CAS

57400-89-2

Similarity

N/A

ID: 816228

4-(4-aminobutyl)phenol

$$$$

M. F.

C10H15NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40216

Database

Data ID

M. W.

165.2322

CAS

22205-09-0

Similarity

N/A

ID: 816229

3-(4-aminophenyl)pyrrolidine-2,5-dione

$$$$

M. F.

C10H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40221

Database

Data ID

M. W.

190.1986

CAS

32856-49-8

Similarity

N/A

ID: 816230

1-(6-bromopyridin-2-yl)-4-methylpiperazine

$$$$

M. F.

C10H14BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40225

Database

Data ID

M. W.

256.14226

CAS

153976-27-3

Similarity

N/A

ID: 816231

5,6,7,8-tetrahydro-1,6-naphthyridin-5-one

$$$$

M. F.

C8H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40226

Database

Data ID

M. W.

148.16192

CAS

155058-02-9

Similarity

N/A

ID: 816232

(1R)-6-fluoro-2,3-dihydro-1H-inden-1-amine

$$$$

M. F.

C9H10FN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40229

Database

Data ID

M. W.

151.1808032

CAS

790208-54-7

Similarity

N/A

ID: 816233

1-iodo-3-methanesulfonylbenzene

$$$$

M. F.

C7H7IO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40237

Database

Data ID

M. W.

282.09875

CAS

139769-20-3

Similarity

N/A

ID: 816234

1-iodo-4-methanesulfonylbenzene

$$$$

M. F.

C7H7IO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40238

Database

Data ID

M. W.

282.09875

CAS

Similarity

N/A

ID: 816235

quinazolin-5-ol

$$$$

M. F.

C8H6N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40242

Database

Data ID

M. W.

146.14604

CAS

7556-88-9

Similarity

N/A

ID: 816236

1-phenyl-1H-1,2,4-triazole-3,5-diol

$$$$

M. F.

C8H7N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40245

Database

Data ID

M. W.

177.16008

CAS

6942-46-7

Similarity

N/A

ID: 816237

4-(4-chlorophenyl)pyridine

$$$$

M. F.

C11H8ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40248

Database

Data ID

M. W.

189.64092

CAS

5957-96-0

Similarity

N/A

ID: 816238

ethyl 2-(4-chlorophenoxy)acetate

$$$$

M. F.

C10H11ClO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40252

Database

Data ID

M. W.

214.64554

CAS

14426-42-7

Similarity

N/A

ID: 816239

2-amino-N-tert-butyl-2-phenylacetamide

$$$$

M. F.

C12H18N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40253

Database

Data ID

M. W.

206.28412

CAS

Similarity

N/A

ID: 816240

1-(triphenylmethyl)-1H-1,2,4-triazole

$$$$

M. F.

C21H17N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40254

Database

Data ID

M. W.

311.37978

CAS

31250-99-4

Similarity

N/A

ID: 816241

ethyl 1H-1,2,3-benzotriazole-5-carboxylate

$$$$

M. F.

C9H9N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40255

Database

Data ID

M. W.

191.18666

CAS

73605-91-1

Similarity

N/A

ID: 816242

2-phenyl-1-(pyridin-3-yl)ethan-1-one

$$$$

M. F.

C13H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40258

Database

Data ID

M. W.

197.23254

CAS

14627-92-0

Similarity

N/A

ID: 816243

ethyl [(2-nitrophenyl)carbamoyl]formate

$$$$

M. F.

C10H10N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40260

Database

Data ID

M. W.

238.1968

CAS

Similarity

N/A

ID: 816244

methyl 2-(2-nitrophenyl)acetate

$$$$

M. F.

C9H9NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40266

Database

Data ID

M. W.

195.17206

CAS

30095-98-8

Similarity

N/A

ID: 816245

2-(quinolin-8-yl)hydrazinium chloride

$$$$

M. F.

C9H10ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40273

Database

Data ID

M. W.

195.6488

CAS

73031-21-7

Similarity

N/A

ID: 816246

2-chloro-4-(4-fluorophenyl)pyrimidine

$$$$

M. F.

C10H6ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40280

Database

Data ID

M. W.

208.6194432

CAS

85979-59-5

Similarity

N/A

ID: 816247

2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile

$$$$

M. F.

C11H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40281

Database

Data ID

M. W.

172.22638

CAS

111599-07-6

Similarity

N/A

ID: 816248

2,2-dimethyl-N-(6-methylpyridin-2-yl)propanamide

$$$$

M. F.

C11H16N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40292

Database

Data ID

M. W.

192.25754

CAS

86847-79-2

Similarity

N/A

ID: 816249

2-(4-bromophenyl)-2-oxoacetaldehyde

$$$$

M. F.

C8H5BrO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40293

Database

Data ID

M. W.

213.0281

CAS

5195-29-9

Similarity

N/A

ID: 816250

6-chloro-4-methylquinolin-2-ol

$$$$

M. F.

C10H8ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O40295

Database

Data ID

M. W.

193.62962

CAS

2585/4/8

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