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Murcko scaffold

Ring system with 3 rings and 28 atoms

14 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
28
Chemicals
14
With full pages
3
Scaffold SMILES

O=C(CSc1ncc(NC(=O)c2ccccc2)c(=O)[nH]1)NCc1ccccc1

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(CSc1ncc(NC(=O)c2ccccc2)c(=O)[nH]1)NCc1ccccc1

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 14 of 14 chemicals

N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H22FN5O5S, CAS 868228-07-3
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868228-07-3C22H22FN5O5S
N-(4-Amino-2-((2-(benzylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide chemical structure, C22H23N5O5S, CAS 868228-06-2
N-(4-Amino-2-((2-(benzylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-dimethoxybenzamide
CAS 868228-06-2C22H23N5O5S
N-(4-Amino-2-((2-(benzylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide chemical structure, C20H18FN5O3S, CAS 872597-25-6
N-(4-Amino-2-((2-(benzylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CAS 872597-25-6C20H18FN5O3S
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide chemical structure, C20H17ClFN5O3S, CAS 872597-32-5
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CAS 872597-32-5C20H17ClFN5O3S
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide chemical structure, C20H17ClFN5O3S, CAS 872597-63-2
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide
CAS 872597-63-2C20H17ClFN5O3S
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide chemical structure, C20H18FN5O3S, CAS 888414-10-6
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide
CAS 888414-10-6C20H18FN5O3S
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide chemical structure, C20H18ClN5O3S, CAS 872597-04-1
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)benzamide
CAS 872597-04-1C20H18ClN5O3S
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide chemical structure, C20H17F2N5O3S, CAS 888417-90-1
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide
CAS 888417-90-1C20H17F2N5O3S
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide chemical structure, C20H17ClFN5O3S, CAS 872597-17-6
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-fluorobenzamide
CAS 872597-17-6C20H17ClFN5O3S
N-(4-Amino-2-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-methylbenzamide chemical structure, C22H23N5O3S, CAS 888425-79-4
N-(4-Amino-2-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-methylbenzamide
CAS 888425-79-4C22H23N5O3S
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide chemical structure, C20H17Cl2N5O3S, CAS 872597-67-6
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide
CAS 872597-67-6C20H17Cl2N5O3S
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-ethoxybenzamide chemical structure, C22H22ClN5O4S, CAS 872608-42-9
N-(4-Amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-ethoxybenzamide
CAS 872608-42-9C22H22ClN5O4S
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-difluorobenzamide chemical structure, C20H16F3N5O3S, CAS 872608-44-1
N-(4-Amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-difluorobenzamide
CAS 872608-44-1C20H16F3N5O3S
N-(4-Amino-2-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-difluorobenzamide chemical structure, C21H19F2N5O3S, CAS 872608-49-6
N-(4-Amino-2-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-3,4-difluorobenzamide
CAS 872608-49-6C21H19F2N5O3S