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Murcko scaffold

Ring system with 4 rings and 20 atoms

15 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
15
With full pages
10
Scaffold SMILES

O=c1c2c3c(sc2ncn1-c1ccccc1)CNCC3

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=c1c2c3c(sc2ncn1-c1ccccc1)CNCC3

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 15 of 15 chemicals

2-[(11-Methyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide chemical structure, C18H18N4O2S2, CAS 846584-80-3
2-[(11-Methyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
CAS 846584-80-3C18H18N4O2S2
(7-Methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro-9-thia-1,3,7-triaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester chemical structure, C20H21N3O3S2, CAS 331421-05-7
(7-Methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro-9-thia-1,3,7-triaza-fluoren-2-ylsulfanyl)-acetic acid ethyl ester
CAS 331421-05-7C20H21N3O3S2
2-(3-Methylbutylsulfanyl)-3-(4-methylphenyl)-7-propyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one chemical structure, C24H31N3OS2, CAS 375834-71-2
2-(3-Methylbutylsulfanyl)-3-(4-methylphenyl)-7-propyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
CAS 375834-71-2C24H31N3OS2
2-(Ethylsulfanyl)-3-phenyl-7-(propan-2-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C20H23N3OS2, CAS 372171-40-9
2-(Ethylsulfanyl)-3-phenyl-7-(propan-2-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 372171-40-9C20H23N3OS2
7-Methyl-3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C20H21N3OS2, CAS 372501-77-4
7-Methyl-3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 372501-77-4C20H21N3OS2
7-Methyl-3-(4-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C21H23N3OS2, CAS 372506-79-1
7-Methyl-3-(4-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 372506-79-1C21H23N3OS2
2-(Ethylsulfanyl)-7-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C19H21N3OS2, CAS 373371-35-8
2-(Ethylsulfanyl)-7-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 373371-35-8C19H21N3OS2
Cambridge id 5683075 chemical structure, C19H19N3OS2, CAS 370076-30-5
Cambridge id 5683075
CAS 370076-30-5C19H19N3OS2
Agn-PC-0kawmo chemical structure, C21H25ClN4OS, CAS 5282-44-0
Agn-PC-0kawmo
CAS 5282-44-0C21H25ClN4OS
3-(3-Chlorophenyl)-2-[(2-hydroxyethyl)amino]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C18H19ClN4O2S, CAS 843635-72-3
3-(3-Chlorophenyl)-2-[(2-hydroxyethyl)amino]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 843635-72-3C18H19ClN4O2S
2-Ethylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-9-thia-1,3,7-triaza-fluoren-4-one chemical structure, C18H19N3OS2, CAS 351008-38-3
2-Ethylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-9-thia-1,3,7-triaza-fluoren-4-one
CAS 351008-38-3C18H19N3OS2
2-(Methylsulfanyl)-3-phenyl-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C19H21N3OS2, CAS 374542-85-5
2-(Methylsulfanyl)-3-phenyl-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 374542-85-5C19H21N3OS2
7-Acetyl-3-(3-chloro-4-fluorophenyl)-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C18H15ClFN3O2S2, CAS 892300-94-6
7-Acetyl-3-(3-chloro-4-fluorophenyl)-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 892300-94-6C18H15ClFN3O2S2
7-Acetyl-3-(4-methoxyphenyl)-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C19H19N3O3S2, CAS 892301-26-7
7-Acetyl-3-(4-methoxyphenyl)-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CAS 892301-26-7C19H19N3O3S2
11-Acetyl-4-(3-chloro-4-methylphenyl)-5-[(3-methylbutyl)sulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one chemical structure, C23H26ClN3O2S2, CAS 892281-93-5
11-Acetyl-4-(3-chloro-4-methylphenyl)-5-[(3-methylbutyl)sulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
CAS 892281-93-5C23H26ClN3O2S2