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Murcko scaffold

RefChem:314165 scaffold

22 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
22
With full pages
7
Scaffold SMILES

S=c1[nH]nc(-c2cc(-c3ccccc3)nc3ccccc23)[nH]1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the RefChem:314165 page
Murcko scaffold S=c1[nH]nc(-c2cc(-c3ccccc3)nc3ccccc23)[nH]1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 22 of 22 chemicals

3-[2-(3-Ethoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione chemical structure, C21H20N4OS, CAS 522598-02-3
3-[2-(3-Ethoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione
CAS 522598-02-3C21H20N4OS
4-Ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide chemical structure, C22H22N4OS, CAS 522598-08-9
4-Ethyl-5-[2-(4-isopropoxyphenyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide
CAS 522598-08-9C22H22N4OS
5-[2-(4-Methylphenyl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol chemical structure, C21H18N4S, CAS 522598-07-8
5-[2-(4-Methylphenyl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS 522598-07-8C21H18N4S
4-Ethyl-3-[2-(3-methoxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione chemical structure, C20H18N4OS, CAS 522597-44-0
4-Ethyl-3-[2-(3-methoxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
CAS 522597-44-0C20H18N4OS
4-Amino-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol chemical structure, C18H15N5S, CAS 733030-64-3
4-Amino-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
CAS 733030-64-3C18H15N5S
4-Ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol chemical structure, C20H18N4S, CAS 588687-17-6
4-Ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
CAS 588687-17-6C20H18N4S
4-Methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol chemical structure, C19H16N4S, CAS 588673-17-0
4-Methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
CAS 588673-17-0C19H16N4S
3-[2-(4-Butoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione chemical structure, C23H24N4OS, CAS 522598-01-2
3-[2-(4-Butoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione
CAS 522598-01-2C23H24N4OS
4-Ethyl-3-[2-(3-propoxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione chemical structure, C22H22N4OS, CAS 522598-10-3
4-Ethyl-3-[2-(3-propoxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
CAS 522598-10-3C22H22N4OS
4-Ethyl-3-[2-(2-methylphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione chemical structure, C20H18N4S, CAS 587851-14-7
4-Ethyl-3-[2-(2-methylphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
CAS 587851-14-7C20H18N4S
3-[2-(4-Chlorophenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione chemical structure, C19H15ClN4S, CAS 588687-20-1
3-[2-(4-Chlorophenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione
CAS 588687-20-1C19H15ClN4S
2,4-Dihydro-4-methyl-5-(6-methyl-2-(4-(1-methylethyl)phenyl)-4-quinolinyl)-3H-1,2,4-triazole-3-thione chemical structure, C22H22N4S, CAS 588687-42-7
2,4-Dihydro-4-methyl-5-(6-methyl-2-(4-(1-methylethyl)phenyl)-4-quinolinyl)-3H-1,2,4-triazole-3-thione
CAS 588687-42-7C22H22N4S
5-(2-(2-Chlorophenyl)-4-quinolinyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione chemical structure, C18H13ClN4S, CAS 588687-52-9
5-(2-(2-Chlorophenyl)-4-quinolinyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
CAS 588687-52-9C18H13ClN4S
5-(2-(4-Butoxyphenyl)-4-quinolinyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione chemical structure, C22H22N4OS, CAS 588687-54-1
5-(2-(4-Butoxyphenyl)-4-quinolinyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
CAS 588687-54-1C22H22N4OS
3-[2-(3,4-Dichlorophenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione chemical structure, C18H12Cl2N4S, CAS 588673-09-0
3-[2-(3,4-Dichlorophenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CAS 588673-09-0C18H12Cl2N4S
4-Methyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol chemical structure, C18H14N4S, CAS 588673-83-0
4-Methyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS 588673-83-0C18H14N4S
4-Ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol chemical structure, C19H16N4S, CAS 588673-84-1
4-Ethyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS 588673-84-1C19H16N4S
4-(3-Methylbutyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol chemical structure, C22H22N4S, CAS 851169-54-5
4-(3-Methylbutyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS 851169-54-5C22H22N4S
3H-1,2,4-Triazole-3-thione, 5-(2-(4-ethylphenyl)-4-quinolinyl)-2,4-dihydro-4-(2-propen-1-yl)- chemical structure, C22H20N4S, CAS 522598-00-1
3H-1,2,4-Triazole-3-thione, 5-(2-(4-ethylphenyl)-4-quinolinyl)-2,4-dihydro-4-(2-propen-1-yl)-
CAS 522598-00-1C22H20N4S
RefChem:314165 chemical structure, C17H12N4S, CAS 832151-18-5
RefChem:314165
CAS 832151-18-5C17H12N4S
4-Allyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol chemical structure, C20H16N4S, CAS 847503-25-7
4-Allyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS 847503-25-7C20H16N4S
5-[2-(2,5-Dimethylphenyl)quinolin-4-yl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol chemical structure, C23H24N4S, CAS 725244-81-5
5-[2-(2,5-Dimethylphenyl)quinolin-4-yl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
CAS 725244-81-5C23H24N4S