Chembase list of 866358 unique molecular structures

$$$$

M. F.

C10H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32357

Database

Data ID

M. W.

196.67662

CAS

99202-32-1

Similarity

N/A

ID: 812352

2-amino-2-(pyridin-4-yl)acetic acid

$$$$

M. F.

C7H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32363

Database

Data ID

M. W.

152.15062

CAS

53339-65-4

Similarity

N/A

ID: 812353

2-amino-2-(pyridin-2-yl)acetic acid

$$$$

M. F.

C7H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32364

Database

Data ID

M. W.

152.15062

CAS

62451-88-1

Similarity

N/A

ID: 812354

ethyl 2-amino-2-(pyridin-2-yl)acetate

$$$$

M. F.

C9H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32366

Database

Data ID

M. W.

180.20378

CAS

55243-15-7

Similarity

N/A

ID: 812355

ethyl 2-amino-2-(6-methylpyridin-2-yl)acetate

$$$$

M. F.

C10H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32367

Database

Data ID

M. W.

194.23036

CAS

Similarity

N/A

ID: 812356

ethyl 2-amino-2-(5-methylpyridin-2-yl)acetate

$$$$

M. F.

C10H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32368

Database

Data ID

M. W.

194.23036

CAS

Similarity

N/A

ID: 812357

ethyl 2-amino-2-(3-methylpyridin-2-yl)acetate

$$$$

M. F.

C10H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32369

Database

Data ID

M. W.

194.23036

CAS

Similarity

N/A

ID: 812358

ethyl 2-amino-2-(quinolin-2-yl)acetate

$$$$

M. F.

C13H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32370

Database

Data ID

M. W.

230.26246

CAS

Similarity

N/A

ID: 812359

rac-(2R)-2-amino-3-(2,4,5-trimethoxyphenyl)propanoic acid

$$$$

M. F.

C12H17NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32371

Database

Data ID

M. W.

255.26708

CAS

23358-63-6

Similarity

N/A

ID: 812360

rac-(2R)-2-amino-3-(2,4-dichlorophenyl)propanoic acid

$$$$

M. F.

C9H9Cl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32372

Database

Data ID

M. W.

234.07926

CAS

5472-68-4

Similarity

N/A

ID: 812361

rac-(2R)-2-amino-3-(2,5-dichlorophenyl)propanoic acid

$$$$

M. F.

C9H9Cl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32373

Database

Data ID

M. W.

234.07926

CAS

110351-36-5

Similarity

N/A

ID: 812362

rac-(2R)-2-amino-3-(3-chlorophenyl)propanoic acid

$$$$

M. F.

C9H10ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32375

Database

Data ID

M. W.

199.6342

CAS

1956-15-6

Similarity

N/A

ID: 812363

rac-(2R)-2-amino-3-(2-bromophenyl)propanoic acid

$$$$

M. F.

C9H10BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32376

Database

Data ID

M. W.

244.0852

CAS

1991-79-3

Similarity

N/A

ID: 812364

rac-(2R)-2-amino-3-(2,5-dimethoxyphenyl)propanoic acid

$$$$

M. F.

C11H15NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32378

Database

Data ID

M. W.

225.2411

CAS

91280-31-8

Similarity

N/A

ID: 812365

rac-(2R)-2-amino-3-(4-ethylphenyl)propanoic acid

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32379

Database

Data ID

M. W.

193.2423

CAS

4313-77-3

Similarity

N/A

ID: 812366

rac-(2R)-2-amino-3-(4-tert-butylphenyl)propanoic acid

$$$$

M. F.

C13H19NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32380

Database

Data ID

M. W.

221.29546

CAS

98708-80-6

Similarity

N/A

ID: 812367

rac-(2R)-2-amino-3-(2,6-dichlorophenyl)propanoic acid

$$$$

M. F.

C9H9Cl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32381

Database

Data ID

M. W.

234.07926

CAS

110300-03-3

Similarity

N/A

ID: 812368

rac-(2R)-2-amino-3-(2,4,6-trimethylphenyl)propanoic acid

$$$$

M. F.

C12H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32382

Database

Data ID

M. W.

207.26888

CAS

76932-42-8

Similarity

N/A

ID: 812369

rac-(2R)-2-amino-3-(pyridin-4-yl)propanoic acid

$$$$

M. F.

C8H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32383

Database

Data ID

M. W.

166.1772

CAS

139178-88-4

Similarity

N/A

ID: 812370

2-amino-3-(2,3-dimethoxyphenyl)propanoic acid

$$$$

M. F.

C11H15NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32384

Database

Data ID

M. W.

225.2411

CAS

Similarity

N/A

ID: 812371

ethyl (2S)-2-amino-3-(2-methylphenyl)propanoate

$$$$

M. F.

C12H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32385

Database

Data ID

M. W.

207.26888

CAS

46438-07-7

Similarity

N/A

ID: 812372

ethyl 2-amino-3-(pyridin-2-yl)propanoate

$$$$

M. F.

C10H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32386

Database

Data ID

M. W.

194.23036

CAS

103394-76-9

Similarity

N/A

ID: 812373

N-ethyl-3-nitrobenzene-1-sulfonamide

$$$$

M. F.

C8H10N2O4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32395

Database

Data ID

M. W.

230.241

CAS

28860-09-5

Similarity

N/A

ID: 812374

(pyridin-2-yl)methanesulfonyl chloride

$$$$

M. F.

C6H6ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32402

Database

Data ID

M. W.

191.63534

CAS

540523-41-9

Similarity

N/A

ID: 812375

(pyridin-3-yl)methanesulfonyl chloride

$$$$

M. F.

C6H6ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32403

Database

Data ID

M. W.

191.63534

CAS

159290-96-7

Similarity

N/A

ID: 812376

(pyridin-4-yl)methanesulfonyl chloride

$$$$

M. F.

C6H6ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32404

Database

Data ID

M. W.

191.63534

CAS

130820-88-1

Similarity

N/A

ID: 812377

1,2-oxazole-3-carbothioamide

$$$$

M. F.

C4H4N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32405

Database

Data ID

M. W.

128.15236

CAS

Similarity

N/A

ID: 812378

pyrimidine-5-carbothioamide

$$$$

M. F.

C5H5N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32408

Database

Data ID

M. W.

139.1783

CAS

88891-75-2

Similarity

N/A

ID: 812379

tert-butyl 2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate

$$$$

M. F.

C16H22N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32409

Database

Data ID

M. W.

306.42308

CAS

885277-73-6

Similarity

N/A

ID: 812380

tert-butyl 2-carbamothioyl-4-phenylpyrrolidine-1-carboxylate

$$$$

M. F.

C16H22N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32410

Database

Data ID

M. W.

306.42308

CAS

885277-70-3

Similarity

N/A

ID: 812381

1H-imidazole-2-carbothioamide

$$$$

M. F.

C4H5N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32411

Database

Data ID

M. W.

127.1676

CAS

438554-23-5

Similarity

N/A

ID: 812382

4-methylmorpholine-2-carbothioamide

$$$$

M. F.

C6H12N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32412

Database

Data ID

M. W.

160.23728

CAS

885272-63-9

Similarity

N/A

ID: 812383

1H-indole-5-carbothioamide

$$$$

M. F.

C9H8N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32414

Database

Data ID

M. W.

176.23822

CAS

114948-09-3

Similarity

N/A

ID: 812384

(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-(3,5-difluorophenyl)butanoic acid

$$$$

M. F.

C15H19F2NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32417

Database

Data ID

M. W.

315.3124664

CAS

Similarity

N/A

ID: 812385

(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid

$$$$

M. F.

C15H20FNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32418

Database

Data ID

M. W.

297.3220032

CAS

Similarity

N/A

ID: 812386

6,8-dimethyl-3,4-dihydroquinazolin-4-one

$$$$

M. F.

C10H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32421

Database

Data ID

M. W.

174.1992

CAS

79263-04-0

Similarity

N/A

ID: 812387

7-amino-1,2,3,4-tetrahydronaphthalen-2-one

$$$$

M. F.

C10H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32422

Database

Data ID

M. W.

161.20044

CAS

Similarity

N/A

ID: 812388

3,4-dimethylbenzene-1-carboximidamide

$$$$

M. F.

C9H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32424

Database

Data ID

M. W.

148.20498

CAS

26130-47-2

Similarity

N/A

ID: 812389

4-(trifluoromethyl)benzene-1-carboximidamide

$$$$

M. F.

C8H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32426

Database

Data ID

M. W.

188.1497896

CAS

131472-28-1

Similarity

N/A

ID: 812390

ethyl 3-(2-chloropyridin-4-yl)prop-2-enoate

$$$$

M. F.

C10H10ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32429

Database

Data ID

M. W.

211.6449

CAS

551950-41-5

Similarity

N/A

ID: 812391

4-methoxypyridine-2-carboxylic acid hydrochloride

$$$$

M. F.

C7H8ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32434

Database

Data ID

M. W.

189.59632

CAS

123811-74-5

Similarity

N/A

ID: 812392

5-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$

M. F.

C10H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32445

Database

Data ID

M. W.

176.21508

CAS

103151-03-7

Similarity

N/A

ID: 812393

5-iodo-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$

M. F.

C7H5IN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32446

Database

Data ID

M. W.

260.03187

CAS

40644-14-2

Similarity

N/A

ID: 812394

5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$

M. F.

C8H5F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32448

Database

Data ID

M. W.

202.1333096

CAS

133687-93-1

Similarity

N/A

ID: 812395

5-(trifluoromethoxy)-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$

M. F.

C8H5F3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32449

Database

Data ID

M. W.

218.1327096

CAS

877681-12-4

Similarity

N/A

ID: 812396

ethyl (2S)-2-amino-2-methylbutanoate

$$$$

M. F.

C7H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32450

Database

Data ID

M. W.

145.1995

CAS

13893-46-4

Similarity

N/A

ID: 812397

(2R)-2-amino-2-methylpentanoic acid

$$$$

M. F.

C6H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32451

Database

Data ID

M. W.

131.17292

CAS

110916-84-2

Similarity

N/A

ID: 812398

N-cyclopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

$$$$

M. F.

C16H22BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32465

Database

Data ID

M. W.

287.16178

CAS

827614-68-6

Similarity

N/A

ID: 812399

2,2-dimethyl-N-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide

$$$$

M. F.

C17H26BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32466

Database

Data ID

M. W.

303.20424

CAS

1073354-10-5

Similarity

N/A

ID: 812400

2-(3,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$

M. F.

C12H15BCl2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O32470

Database

Data ID

M. W.

272.9633

CAS

401797-02-2

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