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Murcko scaffold

Ring system with 4 rings and 29 atoms

78 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
78
With full pages
4
Scaffold SMILES

O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2)Nc1ccccc1

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=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2)Nc1ccccc1

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 48 of 78 chemicals

N-(4-Fluorophenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide chemical structure, C22H20F2N4O2S, CAS 866864-30-4
N-(4-Fluorophenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CAS 866864-30-4C22H20F2N4O2S
N-(3,4-Dimethylphenyl)-2-({6-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide chemical structure, C24H25FN4O2S, CAS 866864-28-0
N-(3,4-Dimethylphenyl)-2-({6-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
CAS 866864-28-0C24H25FN4O2S
N-(3,5-Dimethylphenyl)-2-({6-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide chemical structure, C24H25FN4O2S, CAS 866867-39-2
N-(3,5-Dimethylphenyl)-2-({6-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
CAS 866867-39-2C24H25FN4O2S
2-((6-Benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide chemical structure, C23H23ClN4O3S, CAS 902886-53-7
2-((6-Benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide
CAS 902886-53-7C23H23ClN4O3S
2-({6-Benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide chemical structure, C23H23ClN4O2S, CAS 866867-30-3
2-({6-Benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CAS 866867-30-3C23H23ClN4O2S
2-({6-Benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide chemical structure, C23H23ClN4O2S, CAS 866867-31-4
2-({6-Benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide
CAS 866867-31-4C23H23ClN4O2S
N-(3,5-Dimethylphenyl)-2-((6-(4-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide chemical structure, C25H28N4O3S, CAS 902886-57-1
N-(3,5-Dimethylphenyl)-2-((6-(4-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide
CAS 902886-57-1C25H28N4O3S
N-(2,3-Dimethylphenyl)-2-((6-(4-methylbenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide chemical structure, C25H28N4O2S, CAS 866866-54-8
N-(2,3-Dimethylphenyl)-2-((6-(4-methylbenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide
CAS 866866-54-8C25H28N4O2S
N-(4-Ethoxyphenyl)-2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide chemical structure, C25H28N4O4S, CAS 866847-78-1
N-(4-Ethoxyphenyl)-2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
CAS 866847-78-1C25H28N4O4S
N-(2,4-Dimethylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C25H28N4O3S, CAS 1110989-51-9
N-(2,4-Dimethylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1110989-51-9C25H28N4O3S
N-(2,6-Dimethylphenyl)-2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide chemical structure, C25H28N4O3S, CAS 866847-80-5
N-(2,6-Dimethylphenyl)-2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide
CAS 866847-80-5C25H28N4O3S
N-(2,4-Difluorophenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C23H22F2N4O3S, CAS 1111142-41-6
N-(2,4-Difluorophenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1111142-41-6C23H22F2N4O3S
N-(2-Ethyl-6-methylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C26H30N4O3S, CAS 1326915-56-3
N-(2-Ethyl-6-methylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1326915-56-3C26H30N4O3S
N-(3-Chloro-2-methylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C24H25ClN4O3S, CAS 1110971-60-2
N-(3-Chloro-2-methylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1110971-60-2C24H25ClN4O3S
N-(2,5-Difluorophenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C23H22F2N4O3S, CAS 1111029-92-5
N-(2,5-Difluorophenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1111029-92-5C23H22F2N4O3S
N-(3-Acetylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C25H26N4O4S, CAS 1112363-48-0
N-(3-Acetylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1112363-48-0C25H26N4O4S
N-(2,3-Dimethylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C25H28N4O3S, CAS 1111136-65-2
N-(2,3-Dimethylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1111136-65-2C25H28N4O3S
N-(4-Ethoxyphenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C24H25FN4O3S, CAS 866864-27-9
N-(4-Ethoxyphenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 866864-27-9C24H25FN4O3S
2-{[6-(4-Fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide chemical structure, C23H23FN4O3S, CAS 946369-42-2
2-{[6-(4-Fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
CAS 946369-42-2C23H23FN4O3S
N-(3-Chloro-4-methylphenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C23H22ClFN4O2S, CAS 1110988-95-8
N-(3-Chloro-4-methylphenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 1110988-95-8C23H22ClFN4O2S
2-({6-[(4-Fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide chemical structure, C23H20F4N4O2S, CAS 1326856-49-8
2-({6-[(4-Fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CAS 1326856-49-8C23H20F4N4O2S
2-((6-(4-Fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)-N-(4-isopropylphenyl)acetamide chemical structure, C25H27FN4O2S, CAS 923146-79-6
2-((6-(4-Fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)-N-(4-isopropylphenyl)acetamide
CAS 923146-79-6C25H27FN4O2S
2-{[6-(4-Fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide chemical structure, C23H23FN4O3S, CAS 866864-25-7
2-{[6-(4-Fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CAS 866864-25-7C23H23FN4O3S
N-(3-Chloro-4-methoxyphenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C23H22ClFN4O3S, CAS 866864-31-5
N-(3-Chloro-4-methoxyphenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CAS 866864-31-5C23H22ClFN4O3S