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Murcko scaffold

Ring system with 4 rings and 26 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
8
With full pages
2
Scaffold SMILES

O=c1cc[nH]c2nc(N3CCN(C(=S)Nc4ccccc4)CC3)ncc12

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=c1cc[nH]c2nc(N3CCN(C(=S)Nc4ccccc4)CC3)ncc12

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

2-[4-[(3-Chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C21H20ClFN6O3S, CAS 697239-62-6
2-[4-[(3-Chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 697239-62-6C21H20ClFN6O3S
8-Ethyl-2-{4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C22H24N6O3S, CAS 488803-30-1
8-Ethyl-2-{4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 488803-30-1C22H24N6O3S
2-(4-((2-Bromo-4-methylphenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C22H23BrN6O3S, CAS 488803-19-6
2-(4-((2-Bromo-4-methylphenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 488803-19-6C22H23BrN6O3S
8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C22H21F3N6O3S, CAS 634175-34-1
8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 634175-34-1C22H21F3N6O3S
2-[4-[(2,5-Dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C23H26N6O5S, CAS 497079-26-2
2-[4-[(2,5-Dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 497079-26-2C23H26N6O5S
8-Ethyl-5-oxo-2-[4-(phenylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C21H22N6O3S, CAS 497244-96-9
8-Ethyl-5-oxo-2-[4-(phenylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 497244-96-9C21H22N6O3S
8-Ethyl-5-oxo-2-(4-((4-sulfamoylphenyl)carbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C21H23N7O5S2, CAS 727419-84-3
8-Ethyl-5-oxo-2-(4-((4-sulfamoylphenyl)carbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 727419-84-3C21H23N7O5S2
2-[4-({[3-(Ethoxycarbonyl)phenyl]amino}carbonothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C24H26N6O5S, CAS 632299-39-9
2-[4-({[3-(Ethoxycarbonyl)phenyl]amino}carbonothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 632299-39-9C24H26N6O5S