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Murcko scaffold

Ring system with 3 rings and 22 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
11
With full pages
4
Scaffold SMILES

O=C(NCc1nncn1Cc1ccccc1)c1ccccc1

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(NCc1nncn1Cc1ccccc1)c1ccccc1

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 11 of 11 chemicals

Methyl 2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C20H19FN4O3S, CAS 689747-40-8
Methyl 2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS 689747-40-8C20H19FN4O3S
Methyl 2-[[4-benzyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C20H19N5O5S, CAS 689749-83-5
Methyl 2-[[4-benzyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS 689749-83-5C20H19N5O5S
Ethyl 2-[[4-benzyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C21H21N5O5S, CAS 689749-88-0
Ethyl 2-[[4-benzyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS 689749-88-0C21H21N5O5S
Ethyl 2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate chemical structure, C22H24N4O4S, CAS 476435-20-8
Ethyl 2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS 476435-20-8C22H24N4O4S
N-[(4-Benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide chemical structure, C22H26N4O2S, CAS 476447-72-0
N-[(4-Benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CAS 476447-72-0C22H26N4O2S
N-((4-Benzyl-5-(isopropylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide chemical structure, C21H24N4O2S, CAS 476447-61-7
N-((4-Benzyl-5-(isopropylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
CAS 476447-61-7C21H24N4O2S
N-[(4-Benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide chemical structure, C19H20N4O2S, CAS 476435-12-8
N-[(4-Benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CAS 476435-12-8C19H20N4O2S
N-[(4-Benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide chemical structure, C20H22N4O2S, CAS 476435-23-1
N-[(4-Benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CAS 476435-23-1C20H22N4O2S
N-((4-Benzyl-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide chemical structure, C21H24N4O2S, CAS 476435-24-2
N-((4-Benzyl-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
CAS 476435-24-2C21H24N4O2S
N-((4-Benzyl-5-((2-(hydroxyamino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide chemical structure, C20H21N5O4S, CAS 878065-05-5
N-((4-Benzyl-5-((2-(hydroxyamino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
CAS 878065-05-5C20H21N5O4S
N-((4-Benzyl-5-(sec-butylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide chemical structure, C22H26N4O2S, CAS 476447-82-2
N-((4-Benzyl-5-(sec-butylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
CAS 476447-82-2C22H26N4O2S