Chembase list of 866358 unique molecular structures

ID: 812051

3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-amine

$$$$

M. F.

C13H16FN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31762

Database

Data ID

M. W.

233.2846432

CAS

476637-06-6

Similarity

N/A

ID: 812052

5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazole-3-carboxylic acid

$$$$

M. F.

C17H14N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31765

Database

Data ID

M. W.

310.37026

CAS

1017781-22-4

Similarity

N/A

ID: 812053

1-(4-cyanophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid

$$$$

M. F.

C18H13N3O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31766

Database

Data ID

M. W.

335.37972

CAS

151507-00-5

Similarity

N/A

ID: 812054

1-cyclohexyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylic acid

$$$$

M. F.

C17H20N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31767

Database

Data ID

M. W.

316.4179

CAS

1017781-24-6

Similarity

N/A

ID: 812055

5-{[(tert-butoxy)carbonyl]amino}-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic aci...

$$$$

M. F.

C15H16FN3O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31768

Database

Data ID

M. W.

321.3036432

CAS

1017781-25-7

Similarity

N/A

ID: 812056

2-(propan-2-ylsulfanyl)pyrimidine-4-carbaldehyde

$$$$

M. F.

C8H10N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31771

Database

Data ID

M. W.

182.2428

CAS

885275-17-2

Similarity

N/A

ID: 812057

4-amino-2-(benzylsulfanyl)pyrimidine-5-carbaldehyde

$$$$

M. F.

C12H11N3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31772

Database

Data ID

M. W.

245.30024

CAS

335318-29-1

Similarity

N/A

ID: 812058

2-(methylsulfanyl)-4-(phenylamino)pyrimidine-5-carbaldehyde

$$$$

M. F.

C12H11N3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31774

Database

Data ID

M. W.

245.30024

CAS

211245-56-6

Similarity

N/A

ID: 812059

ethyl 2-(1H-pyrrol-1-yl)benzoate

$$$$

M. F.

C13H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31777

Database

Data ID

M. W.

215.24782

CAS

78540-08-6

Similarity

N/A

ID: 812060

ethyl 5-phenyl-1H-pyrrole-3-carboxylate

$$$$

M. F.

C13H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31779

Database

Data ID

M. W.

215.24782

CAS

161958-61-8

Similarity

N/A

ID: 812061

ethyl 4,5-diphenyl-1H-pyrrole-3-carboxylate

$$$$

M. F.

C19H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31780

Database

Data ID

M. W.

291.34378

CAS

73799-68-5

Similarity

N/A

ID: 812062

{4-[1-(prop-2-en-1-yl)pyrrolidin-2-yl]phenyl}boronic acid

$$$$

M. F.

C13H18BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31781

Database

Data ID

M. W.

231.09852

CAS

Similarity

N/A

ID: 812063

1-butylpyrrolidine-3-carboxylate

$$$$

M. F.

C9H16NO2-

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31783

Database

Data ID

M. W.

170.22884

CAS

122079-54-3

Similarity

N/A

ID: 812064

methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate

$$$$

M. F.

C12H14FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31784

Database

Data ID

M. W.

223.2434632

CAS

939758-13-1

Similarity

N/A

ID: 812065

2-(1-benzofuran-2-yl)-2-(3-{[(tert-butoxy)carbonyl]amino}azetidin-1-yl)acetic ac...

$$$$

M. F.

C18H22N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31785

Database

Data ID

M. W.

346.37768

CAS

885275-29-6

Similarity

N/A

ID: 812066

2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-(1H-indol-2-yl)acetic acid

$$$$

M. F.

C19H25N3O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31786

Database

Data ID

M. W.

359.4195

CAS

885275-32-1

Similarity

N/A

ID: 812067

3-({1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}oxy)benzoic acid

$$$$

M. F.

C16H21NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31793

Database

Data ID

M. W.

307.34164

CAS

250681-87-9

Similarity

N/A

ID: 812068

3-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}oxy)benzoic acid

$$$$

M. F.

C17H23NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31794

Database

Data ID

M. W.

321.36822

CAS

250681-69-7

Similarity

N/A

ID: 812069

4,6-dichloro-2-phenylquinazoline

$$$$

M. F.

C14H8Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31796

Database

Data ID

M. W.

275.13272

CAS

54665-93-9

Similarity

N/A

ID: 812070

4,7-dichloro-2-phenylquinazoline

$$$$

M. F.

C14H8Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31797

Database

Data ID

M. W.

275.13272

CAS

54665-92-8

Similarity

N/A

ID: 812071

4-chloro-6-fluoro-2-phenylquinazoline

$$$$

M. F.

C14H8ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31798

Database

Data ID

M. W.

258.6781232

CAS

885277-09-8

Similarity

N/A

ID: 812072

4-chloro-7-fluoro-2-phenylquinazoline

$$$$

M. F.

C14H8ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31799

Database

Data ID

M. W.

258.6781232

CAS

885277-10-1

Similarity

N/A

ID: 812073

6-bromo-4-chloro-2-phenylquinazoline

$$$$

M. F.

C14H8BrClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31800

Database

Data ID

M. W.

319.58372

CAS

412923-42-3

Similarity

N/A

ID: 812074

4-chloro-6-methyl-2-phenylquinazoline

$$$$

M. F.

C15H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31801

Database

Data ID

M. W.

254.71424

CAS

29083-98-5

Similarity

N/A

ID: 812075

4-chloro-5-methyl-2-phenylquinazoline

$$$$

M. F.

C15H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31802

Database

Data ID

M. W.

254.71424

CAS

885277-13-4

Similarity

N/A

ID: 812076

4,6-dichloro-2-(4-methoxyphenyl)quinazoline

$$$$

M. F.

C15H10Cl2N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31803

Database

Data ID

M. W.

305.1587

CAS

461036-87-3

Similarity

N/A

ID: 812077

4-chloro-6-fluoro-2-(4-methoxyphenyl)quinazoline

$$$$

M. F.

C15H10ClFN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31804

Database

Data ID

M. W.

288.7041032

CAS

885277-16-7

Similarity

N/A

ID: 812078

6-bromo-4-chloro-2-(4-methoxyphenyl)quinazoline

$$$$

M. F.

C15H10BrClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31805

Database

Data ID

M. W.

349.6097

CAS

885277-19-0

Similarity

N/A

ID: 812079

4-chloro-2-(4-methoxyphenyl)-6-methylquinazoline

$$$$

M. F.

C16H13ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31806

Database

Data ID

M. W.

284.74022

CAS

885277-22-5

Similarity

N/A

ID: 812080

4,7-dichloro-2-(4-methoxyphenyl)quinazoline

$$$$

M. F.

C15H10Cl2N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31807

Database

Data ID

M. W.

305.1587

CAS

885277-24-7

Similarity

N/A

ID: 812081

4-chloro-7-fluoro-2-(4-methoxyphenyl)quinazoline

$$$$

M. F.

C15H10ClFN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31808

Database

Data ID

M. W.

288.7041032

CAS

885277-27-0

Similarity

N/A

ID: 812082

4-chloro-2-(4-methoxyphenyl)-5-methylquinazoline

$$$$

M. F.

C16H13ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31809

Database

Data ID

M. W.

284.74022

CAS

885277-29-2

Similarity

N/A

ID: 812083

4,6-dichloro-2-(4-fluorophenyl)quinazoline

$$$$

M. F.

C14H7Cl2FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31810

Database

Data ID

M. W.

293.1231832

CAS

461036-88-4

Similarity

N/A

ID: 812084

4-chloro-6-fluoro-2-(4-fluorophenyl)quinazoline

$$$$

M. F.

C14H7ClF2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31811

Database

Data ID

M. W.

276.6685864

CAS

885277-32-7

Similarity

N/A

ID: 812085

6-bromo-4-chloro-2-(4-fluorophenyl)quinazoline

$$$$

M. F.

C14H7BrClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31812

Database

Data ID

M. W.

337.5741832

CAS

885277-35-0

Similarity

N/A

ID: 812086

4-chloro-2-(4-fluorophenyl)-6-methylquinazoline

$$$$

M. F.

C15H10ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31813

Database

Data ID

M. W.

272.7047032

CAS

885277-38-3

Similarity

N/A

ID: 812087

4,7-dichloro-2-(4-fluorophenyl)quinazoline

$$$$

M. F.

C14H7Cl2FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31814

Database

Data ID

M. W.

293.1231832

CAS

885277-41-8

Similarity

N/A

ID: 812088

4-chloro-7-fluoro-2-(4-fluorophenyl)quinazoline

$$$$

M. F.

C14H7ClF2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31815

Database

Data ID

M. W.

276.6685864

CAS

885277-44-1

Similarity

N/A

ID: 812089

4,6-dichloro-2-(2-fluorophenyl)quinazoline

$$$$

M. F.

C14H7Cl2FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31816

Database

Data ID

M. W.

293.1231832

CAS

885277-47-4

Similarity

N/A

ID: 812090

4-chloro-6-fluoro-2-(2-fluorophenyl)quinazoline

$$$$

M. F.

C14H7ClF2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31817

Database

Data ID

M. W.

276.6685864

CAS

885277-47-4

Similarity

N/A

ID: 812091

6-bromo-4-chloro-2-(2-fluorophenyl)quinazoline

$$$$

M. F.

C14H7BrClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31818

Database

Data ID

M. W.

337.5741832

CAS

760947-12-4

Similarity

N/A

ID: 812092

4-chloro-2-(2-fluorophenyl)-6-methylquinazoline

$$$$

M. F.

C15H10ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31819

Database

Data ID

M. W.

272.7047032

CAS

885277-53-2

Similarity

N/A

ID: 812093

4,7-dichloro-2-(2-fluorophenyl)quinazoline

$$$$

M. F.

C14H7Cl2FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31820

Database

Data ID

M. W.

293.1231832

CAS

885277-55-4

Similarity

N/A

ID: 812094

4-chloro-7-fluoro-2-(2-fluorophenyl)quinazoline

$$$$

M. F.

C14H7ClF2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31821

Database

Data ID

M. W.

276.6685864

CAS

885277-58-7

Similarity

N/A

ID: 812095

4-chloro-2-(2-fluorophenyl)-5-methylquinazoline

$$$$

M. F.

C15H10ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31822

Database

Data ID

M. W.

272.7047032

CAS

885277-61-2

Similarity

N/A

ID: 812096

4,6-dichloro-2-(4-chlorophenyl)quinazoline

$$$$

M. F.

C14H7Cl3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31823

Database

Data ID

M. W.

309.57778

CAS

144924-32-3

Similarity

N/A

ID: 812097

4-chloro-2-(4-chlorophenyl)-6-fluoroquinazoline

$$$$

M. F.

C14H7Cl2FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31824

Database

Data ID

M. W.

293.1231832

CAS

885277-63-4

Similarity

N/A

ID: 812098

6-bromo-4-chloro-2-(4-chlorophenyl)quinazoline

$$$$

M. F.

C14H7BrCl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31825

Database

Data ID

M. W.

354.02878

CAS

885277-66-7

Similarity

N/A

ID: 812099

4-chloro-2-(4-chlorophenyl)-6-methylquinazoline

$$$$

M. F.

C15H10Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31826

Database

Data ID

M. W.

289.1593

CAS

885277-69-0

Similarity

N/A

ID: 812100

4,7-dichloro-2-(4-chlorophenyl)quinazoline

$$$$

M. F.

C14H7Cl3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31827

Database

Data ID

M. W.

309.57778

CAS

885277-72-5

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