Chembase list of 866358 unique molecular structures

4-(piperidin-4-yl)-2-(trifluoromethyl)pyrimidine

$$$$

M. F.

C10H12F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36511

Database

Data ID

M. W.

231.2175896

CAS

914299-53-9

Similarity

N/A

ID: 814352

4-methoxy-2,3-dihydro-1H-inden-2-amine

$$$$

M. F.

C10H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36512

Database

Data ID

M. W.

163.21632

CAS

76413-92-8

Similarity

N/A

ID: 814353

4-chloro-2,3-dihydro-1H-inden-2-amine

$$$$

M. F.

C9H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36513

Database

Data ID

M. W.

167.6354

CAS

73536-79-5

Similarity

N/A

ID: 814354

5-chloro-2,3-dihydro-1H-inden-2-amine

$$$$

M. F.

C9H10ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36514

Database

Data ID

M. W.

167.6354

CAS

73536-83-1

Similarity

N/A

ID: 814355

4-bromo-2,3-dihydro-1H-inden-2-amine

$$$$

M. F.

C9H10BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36515

Database

Data ID

M. W.

212.0864

CAS

1196157-02-4

Similarity

N/A

ID: 814356

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

$$$$

M. F.

C10H13N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36516

Database

Data ID

M. W.

147.21692

CAS

18023-30-8

Similarity

N/A

ID: 814357

7-bromoquinoline-3-carbaldehyde

$$$$

M. F.

C10H6BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36517

Database

Data ID

M. W.

236.06474

CAS

745830-24-4

Similarity

N/A

ID: 814358

7-bromo-3-(chloromethyl)quinoline

$$$$

M. F.

C10H7BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36518

Database

Data ID

M. W.

256.52628

CAS

1196154-08-1

Similarity

N/A

ID: 814359

(7-bromoquinolin-3-yl)methanamine

$$$$

M. F.

C10H9BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36519

Database

Data ID

M. W.

237.09586

CAS

1196155-30-2

Similarity

N/A

ID: 814360

(6-bromoquinolin-3-yl)methanamine

$$$$

M. F.

C10H9BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36520

Database

Data ID

M. W.

237.09586

CAS

1196154-63-8

Similarity

N/A

ID: 814361

6-bromoquinoline-3-carbaldehyde

$$$$

M. F.

C10H6BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36521

Database

Data ID

M. W.

236.06474

CAS

1196155-68-6

Similarity

N/A

ID: 814362

6-bromo-3-(chloromethyl)quinoline

$$$$

M. F.

C10H7BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36522

Database

Data ID

M. W.

256.52628

CAS

1196157-05-7

Similarity

N/A

ID: 814363

6-fluoroquinoline-3-carbaldehyde

$$$$

M. F.

C10H6FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36523

Database

Data ID

M. W.

175.1591432

CAS

1196154-66-1

Similarity

N/A

ID: 814364

tert-butyl N-[5-(chloromethyl)-1,3-thiazol-2-yl]carbamate

$$$$

M. F.

C9H13ClN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36525

Database

Data ID

M. W.

248.72972

CAS

1001420-96-7

Similarity

N/A

ID: 814365

(4-chloro-5-methylpyridin-2-yl)methanamine

$$$$

M. F.

C7H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36526

Database

Data ID

M. W.

156.61276

CAS

1196155-70-0

Similarity

N/A

ID: 814366

4-chloro-2-(chloromethyl)-5-methylpyridine

$$$$

M. F.

C7H7Cl2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36527

Database

Data ID

M. W.

176.04318

CAS

1196157-08-0

Similarity

N/A

ID: 814367

6-bromo-4-nitropyridine-3-carbaldehyde

$$$$

M. F.

C6H3BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36528

Database

Data ID

M. W.

231.00362

CAS

1196154-86-5

Similarity

N/A

ID: 814368

(1-chloroisoquinolin-7-yl)boronic acid

$$$$

M. F.

C9H7BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36529

Database

Data ID

M. W.

207.42138

CAS

370864-49-6

Similarity

N/A

ID: 814369

(1-chloroisoquinolin-6-yl)boronic acid

$$$$

M. F.

C9H7BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36530

Database

Data ID

M. W.

207.42138

CAS

Similarity

N/A

ID: 814370

5-chloroisoquinolin-1-amine

$$$$

M. F.

C9H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36531

Database

Data ID

M. W.

178.61828

CAS

102199-98-4

Similarity

N/A

ID: 814371

1-bromo-6-chloroisoquinoline

$$$$

M. F.

C9H5BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36532

Database

Data ID

M. W.

242.4997

CAS

1196146-81-2

Similarity

N/A

ID: 814372

7-methoxyisoquinolin-1-ol

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36534

Database

Data ID

M. W.

175.18396

CAS

16027-16-0

Similarity

N/A

ID: 814373

1-bromo-7-methoxyisoquinoline

$$$$

M. F.

C10H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36535

Database

Data ID

M. W.

238.08062

CAS

1196151-59-3

Similarity

N/A

ID: 814374

1-bromo-6-methoxyisoquinoline

$$$$

M. F.

C10H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36536

Database

Data ID

M. W.

238.08062

CAS

1196152-83-6

Similarity

N/A

ID: 814375

5-methoxyisoquinolin-1-ol

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36537

Database

Data ID

M. W.

175.18396

CAS

118313-35-2

Similarity

N/A

ID: 814376

6-fluoroisoquinolin-1-ol

$$$$

M. F.

C9H6FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36538

Database

Data ID

M. W.

163.1484432

CAS

214045-85-9

Similarity

N/A

ID: 814377

1-bromo-6-fluoroisoquinoline

$$$$

M. F.

C9H5BrFN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36539

Database

Data ID

M. W.

226.0451032

CAS

1196151-59-3

Similarity

N/A

ID: 814378

6-(trifluoromethyl)isoquinolin-1-ol

$$$$

M. F.

C10H6F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36540

Database

Data ID

M. W.

213.1559496

CAS

1184916-59-3

Similarity

N/A

ID: 814379

1-bromo-6-(trifluoromethyl)isoquinoline

$$$$

M. F.

C10H5BrF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36541

Database

Data ID

M. W.

276.0526096

CAS

1196152-93-8

Similarity

N/A

ID: 814380

6-methylisoquinolin-1-ol

$$$$

M. F.

C10H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36542

Database

Data ID

M. W.

159.18456

CAS

131002-10-3

Similarity

N/A

ID: 814381

5-methylisoquinolin-1-ol

$$$$

M. F.

C10H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36543

Database

Data ID

M. W.

159.18456

CAS

24188-72-5

Similarity

N/A

ID: 814382

2-[(3R)-piperidin-3-yl]acetic acid

$$$$

M. F.

C7H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36544

Database

Data ID

M. W.

143.18362

CAS

1260587-80-1

Similarity

N/A

ID: 814383

2-[(3S)-piperidin-3-yl]acetic acid

$$$$

M. F.

C7H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36545

Database

Data ID

M. W.

143.18362

CAS

1260609-67-3

Similarity

N/A

ID: 814384

6-methanesulfonyl-2,3-dihydro-1H-inden-1-one

$$$$

M. F.

C10H10O3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36546

Database

Data ID

M. W.

210.2496

CAS

255895-80-8

Similarity

N/A

ID: 814385

5-chloro-6-fluoro-2,3-dihydro-1H-inden-1-one

$$$$

M. F.

C9H6ClFO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36547

Database

Data ID

M. W.

184.5947432

CAS

881190-94-9

Similarity

N/A

ID: 814386

7-nitroisoquinolin-1-ol

$$$$

M. F.

C9H6N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36548

Database

Data ID

M. W.

190.15554

CAS

20141-83-7

Similarity

N/A

ID: 814387

4-(tributylstannyl)pyrimidine

$$$$

M. F.

C16H30N2Sn

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36550

Database

Data ID

M. W.

369.1238

CAS

332133-92-3

Similarity

N/A

ID: 814388

2-methoxy-5,6,7,8-tetrahydro-1,7-naphthyridine

$$$$

M. F.

C9H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36551

Database

Data ID

M. W.

164.20438

CAS

1196151-74-2

Similarity

N/A

ID: 814389

2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine

$$$$

M. F.

C9H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36552

Database

Data ID

M. W.

148.20498

CAS

1196146-61-8

Similarity

N/A

ID: 814390

4-iodo-1-methyl-1,2,3,6-tetrahydropyridine

$$$$

M. F.

C6H10IN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36553

Database

Data ID

M. W.

223.05477

CAS

1196146-99-2

Similarity

N/A

ID: 814391

4-iodopyridazine

$$$$

M. F.

C4H3IN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36554

Database

Data ID

M. W.

205.98449

CAS

950890-11-6

Similarity

N/A

ID: 814392

1-(6-methoxypyridazin-3-yl)ethan-1-one

$$$$

M. F.

C7H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36555

Database

Data ID

M. W.

152.15062

CAS

19194-98-0

Similarity

N/A

ID: 814393

5-bromo-3-chloropyridazine

$$$$

M. F.

C4H2BrClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36556

Database

Data ID

M. W.

193.42908

CAS

1196155-33-5

Similarity

N/A

ID: 814394

1H-pyrazole-3,4-dicarbaldehyde

$$$$

M. F.

C5H4N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36558

Database

Data ID

M. W.

124.09746

CAS

33090-48-1

Similarity

N/A

ID: 814395

(4-methyl-1,3-oxazol-2-yl)methanamine

$$$$

M. F.

C5H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36559

Database

Data ID

M. W.

112.12982

CAS

1108725-99-0

Similarity

N/A

ID: 814396

2-(chloromethyl)-4-methyl-1,3-oxazole

$$$$

M. F.

C5H6ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36560

Database

Data ID

M. W.

131.56024

CAS

1196157-12-6

Similarity

N/A

ID: 814397

methyl[(4-methyl-1,3-oxazol-2-yl)methyl]amine

$$$$

M. F.

C6H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36561

Database

Data ID

M. W.

126.1564

CAS

1196151-82-2

Similarity

N/A

ID: 814398

5-(chloromethyl)-2-methyl-1,3-oxazole

$$$$

M. F.

C5H6ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36562

Database

Data ID

M. W.

131.56024

CAS

1196146-69-6

Similarity

N/A

ID: 814399

2-chloro-5-(propan-2-yl)pyrazine

$$$$

M. F.

C7H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36563

Database

Data ID

M. W.

156.61276

CAS

1196147-05-3

Similarity

N/A

ID: 814400

4-bromo-5-methylpyridine-2-carbaldehyde

$$$$

M. F.

C7H6BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36564

Database

Data ID

M. W.

200.03264

CAS

1196157-14-8

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