Chembase list of 866358 unique molecular structures

7-(trifluoromethyl)-1,2-dihydroisoquinolin-1-one

$$$$

M. F.

C10H6F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36682

Database

Data ID

M. W.

213.1559496

CAS

410086-28-1

Similarity

N/A

ID: 814502

6-methoxy-1,2-dihydroisoquinolin-1-one

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36683

Database

Data ID

M. W.

175.18396

CAS

26829-43-6

Similarity

N/A

ID: 814503

2,4-diethyl 1-amino-3-methoxy-1H-pyrrole-2,4-dicarboxylate

$$$$

M. F.

C11H16N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36685

Database

Data ID

M. W.

256.25514

CAS

310444-77-0

Similarity

N/A

ID: 814504

(4-bromopyridin-2-yl)methyl acetate

$$$$

M. F.

C8H8BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36686

Database

Data ID

M. W.

230.05862

CAS

192642-94-7

Similarity

N/A

ID: 814505

(3-bromo-5-chlorophenyl)methanamine

$$$$

M. F.

C7H7BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36688

Database

Data ID

M. W.

220.49418

CAS

917388-35-3

Similarity

N/A

ID: 814506

6-methyl-5-phenylpyridin-2-amine

$$$$

M. F.

C12H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36689

Database

Data ID

M. W.

184.23708

CAS

84596-30-5

Similarity

N/A

ID: 814507

methyl 2-ethynylbenzoate

$$$$

M. F.

C10H8O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36690

Database

Data ID

M. W.

160.16932

CAS

33577-99-0

Similarity

N/A

ID: 814508

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

$$$$

M. F.

C9H6ClFO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36691

Database

Data ID

M. W.

184.5947432

CAS

881189-75-9

Similarity

N/A

ID: 814509

2-amino-4-bromobenzamide

$$$$

M. F.

C7H7BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36692

Database

Data ID

M. W.

215.04728

CAS

112253-70-0

Similarity

N/A

ID: 814510

5-(benzyloxy)-3-oxopentanenitrile

$$$$

M. F.

C12H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36693

Database

Data ID

M. W.

203.23712

CAS

118602-94-1

Similarity

N/A

ID: 814511

2-(2-methylpiperazin-1-yl)pyrimidine

$$$$

M. F.

C9H14N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36694

Database

Data ID

M. W.

178.23426

CAS

21279-56-1

Similarity

N/A

ID: 814512

5-(2-methylpiperazin-1-yl)pyrimidine

$$$$

M. F.

C9H14N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36695

Database

Data ID

M. W.

178.23426

CAS

1196153-44-2

Similarity

N/A

ID: 814513

5-(3-methylpiperazin-1-yl)pyrimidine

$$$$

M. F.

C9H14N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36696

Database

Data ID

M. W.

178.23426

CAS

1196154-53-6

Similarity

N/A

ID: 814514

4-amino-1-methyl-1H-pyrrole-2-carbonitrile

$$$$

M. F.

C6H7N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36697

Database

Data ID

M. W.

121.13988

CAS

99420-67-4

Similarity

N/A

ID: 814515

1-methyl-5-nitro-1H-pyrrole-2-carbonitrile

$$$$

M. F.

C6H5N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36698

Database

Data ID

M. W.

151.1228

CAS

2853-30-7

Similarity

N/A

ID: 814516

2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,3-thiazole

$$$$

M. F.

C8H6F3N3S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36699

Database

Data ID

M. W.

233.2135496

CAS

223499-08-9

Similarity

N/A

ID: 814517

(3-bromopropyl)[(4-chlorophenyl)methyl]amine hydrobromide

$$$$

M. F.

C10H14Br2ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36700

Database

Data ID

M. W.

343.48586

CAS

40584-09-6

Similarity

N/A

ID: 814518

6-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline

$$$$

M. F.

C10H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36701

Database

Data ID

M. W.

181.66198

CAS

73037-81-7

Similarity

N/A

ID: 814519

(3-bromopropyl)[(2-chlorophenyl)methyl]amine hydrobromide

$$$$

M. F.

C10H14Br2ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36702

Database

Data ID

M. W.

343.48586

CAS

69739-56-6

Similarity

N/A

ID: 814520

8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline

$$$$

M. F.

C10H12ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36703

Database

Data ID

M. W.

181.66198

CAS

73037-84-0

Similarity

N/A

ID: 814521

3-amino-4-bromothiophene-2-carboxylic acid

$$$$

M. F.

C5H4BrNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36704

Database

Data ID

M. W.

222.05976

CAS

215927-34-7

Similarity

N/A

ID: 814522

3-amino-5-bromothiophene-2-carboxamide

$$$$

M. F.

C5H5BrN2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36705

Database

Data ID

M. W.

221.075

CAS

494833-79-3

Similarity

N/A

ID: 814523

4-bromo-3-methylthiophene-2-carboxamide

$$$$

M. F.

C6H6BrNOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36706

Database

Data ID

M. W.

220.08694

CAS

945557-05-1

Similarity

N/A

ID: 814524

5-cyanothiophene-2-carboxamide

$$$$

M. F.

C6H4N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36708

Database

Data ID

M. W.

152.17376

CAS

67808-45-1

Similarity

N/A

ID: 814525

5-chloro-2-methylthiophene-3-carboxamide

$$$$

M. F.

C6H6ClNOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36709

Database

Data ID

M. W.

175.63594

CAS

189330-11-8

Similarity

N/A

ID: 814526

3-bromo-1-methyl-6-nitro-1H-indole

$$$$

M. F.

C9H7BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36710

Database

Data ID

M. W.

255.06808

CAS

945556-86-5

Similarity

N/A

ID: 814527

5-bromo-3-fluoropyridine-2-carboxamide

$$$$

M. F.

C6H4BrFN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36711

Database

Data ID

M. W.

219.0111632

CAS

669066-90-4

Similarity

N/A

ID: 814528

3-amino-N-methoxy-4-methylbenzamide hydrochloride

$$$$

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36712

Database

Data ID

M. W.

216.66472

CAS

607738-97-6

Similarity

N/A

ID: 814529

4-(benzyloxy)-2-(chloromethyl)-3-methylquinoline

$$$$

M. F.

C18H16ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36713

Database

Data ID

M. W.

297.77874

CAS

356761-10-9

Similarity

N/A

ID: 814530

4-bromo-1,3-thiazole-2-carboxamide

$$$$

M. F.

C4H3BrN2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36716

Database

Data ID

M. W.

207.04842

CAS

912639-91-9

Similarity

N/A

ID: 814531

5-bromo-7-fluoro-2,3-dihydro-1H-isoindol-1-one

$$$$

M. F.

C8H5BrFNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36717

Database

Data ID

M. W.

230.0338032

CAS

957346-37-1

Similarity

N/A

ID: 814532

2-amino-4-bromo-N-methylbenzamide

$$$$

M. F.

C8H9BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36718

Database

Data ID

M. W.

229.07386

CAS

864866-77-3

Similarity

N/A

ID: 814533

methyl 2-bromo-2-(4-nitrophenyl)acetate

$$$$

M. F.

C9H8BrNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36719

Database

Data ID

M. W.

274.06812

CAS

85259-33-2

Similarity

N/A

ID: 814534

(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonan-4-one

$$$$

M. F.

C14H18N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36720

Database

Data ID

M. W.

230.30552

CAS

897396-10-0

Similarity

N/A

ID: 814535

(1R,6S)-3,9-diazabicyclo[4.2.1]nonane

$$$$

M. F.

C7H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36721

Database

Data ID

M. W.

126.19946

CAS

284-19-5

Similarity

N/A

ID: 814536

6-amino-2-hydroxy-5-nitropyridine-3-carboxylic acid

$$$$

M. F.

C6H5N3O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36722

Database

Data ID

M. W.

199.121

CAS

138042-36-1

Similarity

N/A

ID: 814537

4-amino-3-fluoro-5-iodobenzonitrile

$$$$

M. F.

C7H4FIN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36723

Database

Data ID

M. W.

262.0229332

CAS

849353-46-4

Similarity

N/A

ID: 814538

6-hydroxy-4-methylpyridine-3-carboxylic acid

$$$$

M. F.

C7H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36725

Database

Data ID

M. W.

153.13538

CAS

66909-28-2

Similarity

N/A

ID: 814539

3-(aminomethyl)-2-fluoroaniline

$$$$

M. F.

C7H9FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36726

Database

Data ID

M. W.

140.1581632

CAS

946125-80-0

Similarity

N/A

ID: 814540

3-bromo-5-chloro-1-benzofuran

$$$$

M. F.

C8H4BrClO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36729

Database

Data ID

M. W.

231.47376

CAS

36739-99-8

Similarity

N/A

ID: 814541

4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-amine

$$$$

M. F.

C5H5F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36730

Database

Data ID

M. W.

166.1012096

CAS

110234-47-4

Similarity

N/A

ID: 814542

4,5-dichloro-1H-pyrazole-3-carboxylic acid

$$$$

M. F.

C4H2Cl2N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36732

Database

Data ID

M. W.

180.97688

CAS

115964-19-7

Similarity

N/A

ID: 814543

2-cyanopyrimidine-5-carboxylic acid

$$$$

M. F.

C6H3N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36733

Database

Data ID

M. W.

149.10692

CAS

1115962-72-5

Similarity

N/A

ID: 814544

2-(aminomethyl)-4,6-dimethylaniline

$$$$

M. F.

C9H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36734

Database

Data ID

M. W.

150.22086

CAS

1138027-34-5

Similarity

N/A

ID: 814545

8-(trifluoromethyl)isoquinoline

$$$$

M. F.

C10H6F3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36735

Database

Data ID

M. W.

197.1565496

CAS

120568-10-7

Similarity

N/A

ID: 814546

tert-butyl (1S,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate

$$$$

M. F.

C12H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36736

Database

Data ID

M. W.

226.31528

CAS

286947-16-8

Similarity

N/A

ID: 814547

(1S,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decan-4-one

$$$$

M. F.

C15H20N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36737

Database

Data ID

M. W.

244.3321

CAS

897396-21-3

Similarity

N/A

ID: 814548

(1S,6R)-3,10-diazabicyclo[4.3.1]decan-4-one

$$$$

M. F.

C8H14N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36738

Database

Data ID

M. W.

154.20956

CAS

1208711-11-8

Similarity

N/A

ID: 814549

(1S,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane

$$$$

M. F.

C15H22N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36739

Database

Data ID

M. W.

230.34858

CAS

653600-91-0

Similarity

N/A

ID: 814550

tert-butyl (1R,6R)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate

$$$$

M. F.

C13H24N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O36740

Database

Data ID

M. W.

240.34186

CAS

897396-23-5

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