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Murcko scaffold

Ring system with 3 rings and 18 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
9
With full pages
2
Scaffold SMILES

O=c1[nH]cnc2ccc(CNc3cccs3)cc12

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 scaffold
Murcko scaffold O=c1[nH]cnc2ccc(CNc3cccs3)cc12

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 9 of 9 chemicals

Raltitrexed chemical structure, C21H22N4O6S, CAS 112887-68-0
Raltitrexed
CAS 112887-68-0C21H22N4O6S
5-(Methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)thiophene-2-carboxylic acid chemical structure, C16H15N3O3S, CAS 138899-69-1
5-(Methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)thiophene-2-carboxylic acid
CAS 138899-69-1C16H15N3O3S
N-((5-(((3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)-2-thienyl)carbonyl)-L-glutamic acid, 1,5-diethyl ester chemical structure, C25H30N4O6S, CAS 132463-02-6
N-((5-(((3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)-2-thienyl)carbonyl)-L-glutamic acid, 1,5-diethyl ester
CAS 132463-02-6C25H30N4O6S
N-[[5-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]ethylamino]-2-thienyl]carbonyl]-L-glutamic acid chemical structure, C22H24N4O6S, CAS 112887-69-1
N-[[5-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]ethylamino]-2-thienyl]carbonyl]-L-glutamic acid
CAS 112887-69-1C22H24N4O6S
2-({5-[Methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid chemical structure, C21H22N4O6S, CAS 1042419-89-5
2-({5-[Methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid
CAS 1042419-89-5C21H22N4O6S
(S)-2-(5-((2-Methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methylamino)thiophene-2-carboxamido)pentanedioic acid chemical structure, C20H20N4O6S, CAS 132462-57-8
(S)-2-(5-((2-Methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methylamino)thiophene-2-carboxamido)pentanedioic acid
CAS 132462-57-8C20H20N4O6S
Raltitrexed monohydrate chemical structure, C21H24N4O7S, CAS 1682642-22-3
Raltitrexed monohydrate
CAS 1682642-22-3C21H24N4O7S
(S)-5-(tert-Butoxy)-4-(5-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)thiophene-2-carboxamido)-5-oxopentanoic acid chemical structure, C25H30N4O6S, CAS 2991247-93-7
(S)-5-(tert-Butoxy)-4-(5-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)thiophene-2-carboxamido)-5-oxopentanoic acid
CAS 2991247-93-7C25H30N4O6S
Methyl 5-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)thiophene-2-carboxylate chemical structure, C17H17N3O3S, CAS 859855-64-4
Methyl 5-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)thiophene-2-carboxylate
CAS 859855-64-4C17H17N3O3S