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Murcko scaffold

Ring system with 3 rings and 18 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
8
With full pages
2
Scaffold SMILES

S=C(Nc1ccccc1)Nc1cc2c(s1)CCC2

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 S=C(Nc1ccccc1)Nc1cc2c(s1)CCC2

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 8 of 8 chemicals

N-(3-(Ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta(b)thiophen-2-yl)-N'-phenylcarbamimidothioic acid chemical structure, C17H18N2O2S2, CAS 59898-49-6
N-(3-(Ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta(b)thiophen-2-yl)-N'-phenylcarbamimidothioic acid
CAS 59898-49-6C17H18N2O2S2
Ethyl 2-{[(4-methoxyanilino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C18H20N2O3S2, CAS 325995-04-8
Ethyl 2-{[(4-methoxyanilino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 325995-04-8C18H20N2O3S2
Ethyl 2-[(2-methoxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C18H20N2O3S2, CAS 375361-97-0
Ethyl 2-[(2-methoxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 375361-97-0C18H20N2O3S2
Methyl 2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C20H22N2O6S2, CAS 701947-46-8
Methyl 2-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 701947-46-8C20H22N2O6S2
Methyl 2-{[(4-ethylphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C18H20N2O2S2, CAS 590354-50-0
Methyl 2-{[(4-ethylphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 590354-50-0C18H20N2O2S2
Methyl 2-{[(3,4-dimethylphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C18H20N2O2S2, CAS 590354-49-7
Methyl 2-{[(3,4-dimethylphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 590354-49-7C18H20N2O2S2
Methyl 2-{[(2-ethylphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C18H20N2O2S2, CAS 590354-56-6
Methyl 2-{[(2-ethylphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 590354-56-6C18H20N2O2S2
Methyl 2-{[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate chemical structure, C16H14Cl2N2O3S2, CAS 774575-68-7
Methyl 2-{[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS 774575-68-7C16H14Cl2N2O3S2