Chembase list of 866358 unique molecular structures

1-(2-bromopyridin-3-yl)-2,2,2-trifluoroethan-1-amine

$$$$

M. F.

C7H6BrF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25577

Database

Data ID

M. W.

255.0351496

CAS

Similarity

N/A

ID: 807552

3-amino-5-(trifluoromethyl)pyridin-2-ol

$$$$

M. F.

C6H5F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25580

Database

Data ID

M. W.

178.1119096

CAS

90778-25-9

Similarity

N/A

ID: 807553

4-tert-butyl-1,3-thiazole-2-carboxylic acid

$$$$

M. F.

C8H11NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25586

Database

Data ID

M. W.

185.24344

CAS

79247-74-8

Similarity

N/A

ID: 807554

3-phenyl-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C9H6N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25588

Database

Data ID

M. W.

190.15554

CAS

400716-17-8

Similarity

N/A

ID: 807555

3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C10H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25589

Database

Data ID

M. W.

204.18212

CAS

Similarity

N/A

ID: 807556

3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C10H8N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25590

Database

Data ID

M. W.

220.18152

CAS

Similarity

N/A

ID: 807557

3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C9H5FN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25591

Database

Data ID

M. W.

208.1460032

CAS

944896-51-9

Similarity

N/A

ID: 807558

3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C10H8N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25592

Database

Data ID

M. W.

220.18152

CAS

Similarity

N/A

ID: 807559

3-(3-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C10H8N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25593

Database

Data ID

M. W.

220.18152

CAS

944896-69-9

Similarity

N/A

ID: 807560

3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C9H5ClN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25594

Database

Data ID

M. W.

224.6006

CAS

Similarity

N/A

ID: 807561

3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C9H5ClN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25595

Database

Data ID

M. W.

224.6006

CAS

Similarity

N/A

ID: 807562

3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C10H5F3N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25596

Database

Data ID

M. W.

258.1535096

CAS

Similarity

N/A

ID: 807563

3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylic acid

$$$$

M. F.

C10H5F3N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25597

Database

Data ID

M. W.

258.1535096

CAS

Similarity

N/A

ID: 807564

4-tert-butyl-1,3-thiazole-2-carbaldehyde

$$$$

M. F.

C8H11NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25600

Database

Data ID

M. W.

169.24404

CAS

Similarity

N/A

ID: 807565

3-[(4-chlorophenyl)methyl]piperidine

$$$$

M. F.

C12H16ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25604

Database

Data ID

M. W.

209.71514

CAS

136422-52-1

Similarity

N/A

ID: 807566

2,2,2-trifluoro-1-(pyridin-4-yl)ethan-1-amine

$$$$

M. F.

C7H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25605

Database

Data ID

M. W.

176.1390896

CAS

1060815-28-2

Similarity

N/A

ID: 807567

5-chloro-1H-indazol-3-amine

$$$$

M. F.

C7H6ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25606

Database

Data ID

M. W.

167.59564

CAS

5685-72-3

Similarity

N/A

ID: 807568

2-{[(tert-butoxy)carbonyl]amino}-2-(4-phenylphenyl)propanoic acid

$$$$

M. F.

C20H23NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25607

Database

Data ID

M. W.

341.40092

CAS

137255-86-8

Similarity

N/A

ID: 807569

3-bromo-6-methylpyridine-2-carboxylic acid

$$$$

M. F.

C7H6BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25614

Database

Data ID

M. W.

216.03204

CAS

779344-30-8

Similarity

N/A

ID: 807570

(2,6-dimethylpyridin-3-yl)boronic acid

$$$$

M. F.

C7H10BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25618

Database

Data ID

M. W.

150.9708

CAS

693774-55-9

Similarity

N/A

ID: 807571

(4,6-dimethylpyridin-3-yl)boronic acid

$$$$

M. F.

C7H10BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25619

Database

Data ID

M. W.

150.9708

CAS

1001907-68-1

Similarity

N/A

ID: 807572

1-methyl-5-nitro-2,3-dihydro-1H-indole

$$$$

M. F.

C9H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25621

Database

Data ID

M. W.

178.1879

CAS

18711-25-6

Similarity

N/A

ID: 807573

1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole

$$$$

M. F.

C10H17BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25623

Database

Data ID

M. W.

208.06518

CAS

1083180-01-1

Similarity

N/A

ID: 807574

4-methylpyridine-3-carbaldehyde

$$$$

M. F.

C7H7NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25624

Database

Data ID

M. W.

121.13658

CAS

51227-28-2

Similarity

N/A

ID: 807575

4,6-dichloro-2-methylpyrimidine-5-carbonitrile

$$$$

M. F.

C6H3Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25625

Database

Data ID

M. W.

188.01412

CAS

76574-36-2

Similarity

N/A

ID: 807576

2-chloro-3-(2-chloroethyl)-6,7-dimethylquinoline

$$$$

M. F.

C13H13Cl2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25629

Database

Data ID

M. W.

254.15502

CAS

893724-61-3

Similarity

N/A

ID: 807577

2-chloro-3-(2-chloroethyl)-5,7-dimethylquinoline

$$$$

M. F.

C13H13Cl2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25630

Database

Data ID

M. W.

254.15502

CAS

893724-64-6

Similarity

N/A

ID: 807578

2-chloro-3-(2-chloroethyl)-7,8-dimethylquinoline

$$$$

M. F.

C13H13Cl2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25631

Database

Data ID

M. W.

254.15502

CAS

893724-67-9

Similarity

N/A

ID: 807579

2-chloro-N4,N4-dimethylpyrimidine-4,5-diamine

$$$$

M. F.

C6H9ClN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25633

Database

Data ID

M. W.

172.61546

CAS

823796-56-1

Similarity

N/A

ID: 807580

2-chloro-N,N-dimethyl-5-nitropyrimidin-4-amine

$$$$

M. F.

C6H7ClN4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25635

Database

Data ID

M. W.

202.59838

CAS

1131-14-2

Similarity

N/A

ID: 807581

3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

$$$$

M. F.

C7H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25636

Database

Data ID

M. W.

138.1671

CAS

Similarity

N/A

ID: 807582

(2R)-2-acetamido-3-[(2-acetamidoethyl)sulfanyl]propanoic acid

$$$$

M. F.

C9H16N2O4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25637

Database

Data ID

M. W.

248.29934

CAS

25515-72-4

Similarity

N/A

ID: 807583

3,3-dimethyl-6-nitro-2,3-dihydro-1H-indole

$$$$

M. F.

C10H12N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25638

Database

Data ID

M. W.

192.21448

CAS

179898-72-7

Similarity

N/A

ID: 807584

1-(3,3-dimethyl-6-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one

$$$$

M. F.

C12H14N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25639

Database

Data ID

M. W.

234.25116

CAS

453562-68-0

Similarity

N/A

ID: 807585

4-chloro-6-ethyl-2-methylquinoline

$$$$

M. F.

C12H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25644

Database

Data ID

M. W.

205.68338

CAS

123638-09-5

Similarity

N/A

ID: 807586

4-chloro-8-ethyl-2-methylquinoline

$$$$

M. F.

C12H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25645

Database

Data ID

M. W.

205.68338

CAS

63136-24-3

Similarity

N/A

ID: 807587

4-chloro-5,7-dimethylquinoline

$$$$

M. F.

C11H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25646

Database

Data ID

M. W.

191.6568

CAS

1070879-33-2

Similarity

N/A

ID: 807588

4-chloro-5,8-dimethylquinoline

$$$$

M. F.

C11H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25647

Database

Data ID

M. W.

191.6568

CAS

188759-77-5

Similarity

N/A

ID: 807589

2-chloro-8-ethyl-3-methylquinoline

$$$$

M. F.

C12H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25648

Database

Data ID

M. W.

205.68338

CAS

132118-30-0

Similarity

N/A

ID: 807590

2-chloro-6-ethyl-3-methylquinoline

$$$$

M. F.

C12H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25649

Database

Data ID

M. W.

205.68338

CAS

132118-29-7

Similarity

N/A

ID: 807591

4-hydroxy-5,7-dimethylquinoline-3-carboxylic acid

$$$$

M. F.

C12H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25650

Database

Data ID

M. W.

217.22064

CAS

948293-86-5

Similarity

N/A

ID: 807592

2-chloro-3,8-dimethylquinoline

$$$$

M. F.

C11H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25652

Database

Data ID

M. W.

191.6568

CAS

108097-04-7

Similarity

N/A

ID: 807593

2-chloro-3,6-dimethylquinoline

$$$$

M. F.

C11H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25653

Database

Data ID

M. W.

191.6568

CAS

132118-28-6

Similarity

N/A

ID: 807594

2-propyl-8-(trifluoromethyl)quinolin-4-ol

$$$$

M. F.

C13H12F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25654

Database

Data ID

M. W.

255.2356896

CAS

948291-55-2

Similarity

N/A

ID: 807595

2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-one

$$$$

M. F.

C12H15N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25658

Database

Data ID

M. W.

233.2664

CAS

Similarity

N/A

ID: 807596

methyl 1,3-oxazole-2-carboxylate

$$$$

M. F.

C5H5NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25663

Database

Data ID

M. W.

127.0981

CAS

31698-88-1

Similarity

N/A

ID: 807597

1-(2-chloropyridin-4-yl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C7H3ClF3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25665

Database

Data ID

M. W.

209.5530296

CAS

Similarity

N/A

ID: 807598

6-chloroquinolin-4-amine hydrochloride

$$$$

M. F.

C9H8Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25666

Database

Data ID

M. W.

215.07922

CAS

114306-29-5

Similarity

N/A

ID: 807599

4-methylquinolin-2-amine hydrochloride

$$$$

M. F.

C10H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25667

Database

Data ID

M. W.

194.66074

CAS

Similarity

N/A

ID: 807600

4-(piperazin-1-yl)-2,8-bis(trifluoromethyl)quinoline

$$$$

M. F.

C15H13F6N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O25669

Database

Data ID

M. W.

349.2742392

CAS

401567-76-8

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