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Murcko scaffold

Ring system with 2 rings and 18 atoms

16 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
18
Chemicals
16
With full pages
8
Scaffold SMILES

O=C1CN(C(=S)NC(=O)c2ccccc2)CCN1

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=C1CN(C(=S)NC(=O)c2ccccc2)CCN1

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 16 of 16 chemicals

3-Bromo-4-methoxy-N-(3-oxopiperazine-1-carbothioyl)benzamide chemical structure, C13H14BrN3O3S, CAS 817569-05-4
3-Bromo-4-methoxy-N-(3-oxopiperazine-1-carbothioyl)benzamide
CAS 817569-05-4C13H14BrN3O3S
2-Nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide chemical structure, C12H12N4O4S, CAS 817569-00-9
2-Nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide
CAS 817569-00-9C12H12N4O4S
3-Iodo-4-methyl-N-(3-oxopiperazine-1-carbothioyl)benzamide chemical structure, C13H14IN3O2S, CAS 817569-08-7
3-Iodo-4-methyl-N-(3-oxopiperazine-1-carbothioyl)benzamide
CAS 817569-08-7C13H14IN3O2S
Methyl (1-{[(3-iodo-4-methoxyphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate chemical structure, C16H18IN3O5S, CAS 1008482-19-6
Methyl (1-{[(3-iodo-4-methoxyphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
CAS 1008482-19-6C16H18IN3O5S
Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate chemical structure, C17H20BrN3O4S, CAS 1008239-61-9
Ethyl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CAS 1008239-61-9C17H20BrN3O4S
Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate chemical structure, C15H16N4O6S, CAS 1008185-62-3
Methyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
CAS 1008185-62-3C15H16N4O6S
Isopropyl (1-{[(2-chlorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate chemical structure, C17H20ClN3O4S, CAS 1009204-30-1
Isopropyl (1-{[(2-chlorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
CAS 1009204-30-1C17H20ClN3O4S
Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate chemical structure, C17H20FN3O4S, CAS 1009548-44-0
Isopropyl (1-{[(4-fluorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
CAS 1009548-44-0C17H20FN3O4S
2-[1-[[[(4-Methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester chemical structure, C18H23N3O5S, CAS 1009283-52-6
2-[1-[[[(4-Methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester
CAS 1009283-52-6C18H23N3O5S
Isopropyl 2-(1-((3-bromo-4-methylbenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate chemical structure, C18H22BrN3O4S, CAS 1030830-15-9
Isopropyl 2-(1-((3-bromo-4-methylbenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
CAS 1030830-15-9C18H22BrN3O4S
Ethyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate chemical structure, C17H21N3O5S, CAS 1007927-59-4
Ethyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CAS 1007927-59-4C17H21N3O5S
Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate chemical structure, C15H16ClN3O4S, CAS 1008070-89-0
Methyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
CAS 1008070-89-0C15H16ClN3O4S
Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate chemical structure, C16H18ClN3O4S, CAS 1008070-91-4
Ethyl 2-[1-[(3-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CAS 1008070-91-4C16H18ClN3O4S
Propyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate chemical structure, C17H20ClN3O4S, CAS 1009494-19-2
Propyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
CAS 1009494-19-2C17H20ClN3O4S
Isopropyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate chemical structure, C17H20ClN3O4S, CAS 1008284-39-6
Isopropyl 2-(1-((3-chlorobenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
CAS 1008284-39-6C17H20ClN3O4S
Ethyl [3-oxo-1-({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)piperazin-2-yl]acetate chemical structure, C19H25N3O4S, CAS 1048977-87-2
Ethyl [3-oxo-1-({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)piperazin-2-yl]acetate
CAS 1048977-87-2C19H25N3O4S