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Murcko scaffold

Ring system with 4 rings and 25 atoms

176 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
176
With full pages
27
Scaffold SMILES

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)[nH]1)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([nH]c3ccccc32)c(=O)[nH]1)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 176 chemicals

2-((3-Methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-phenylacetamide chemical structure, C19H16N4O2S, CAS 537667-81-5
2-((3-Methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-phenylacetamide
CAS 537667-81-5C19H16N4O2S
Ethyl 4-(2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamido)benzoate chemical structure, C22H20N4O4S, CAS 537667-82-6
Ethyl 4-(2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamido)benzoate
CAS 537667-82-6C22H20N4O4S
N-(4-Methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C20H18N4O3S, CAS 537667-83-7
N-(4-Methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537667-83-7C20H18N4O3S
N-(2-Fluorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C19H15FN4O2S, CAS 537667-85-9
N-(2-Fluorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537667-85-9C19H15FN4O2S
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-methylphenyl)acetamide chemical structure, C20H18N4O2S, CAS 537667-86-0
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-methylphenyl)acetamide
CAS 537667-86-0C20H18N4O2S
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide chemical structure, C20H18N4O2S, CAS 537667-87-1
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CAS 537667-87-1C20H18N4O2S
N-(4-Ethoxyphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C21H20N4O3S, CAS 537667-88-2
N-(4-Ethoxyphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537667-88-2C21H20N4O3S
N-(2,3-Dimethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C21H20N4O2S, CAS 537667-89-3
N-(2,3-Dimethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537667-89-3C21H20N4O2S
N-(2,5-Dimethylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C21H20N4O2S, CAS 537667-90-6
N-(2,5-Dimethylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537667-90-6C21H20N4O2S
N-(2,4-Dimethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C21H20N4O2S, CAS 537667-91-7
N-(2,4-Dimethylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537667-91-7C21H20N4O2S
N-(3,5-Dimethylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C21H20N4O2S, CAS 537667-92-8
N-(3,5-Dimethylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537667-92-8C21H20N4O2S
N-(2,4-Dimethoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C21H20N4O4S, CAS 537667-93-9
N-(2,4-Dimethoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537667-93-9C21H20N4O4S
N-(2,4-Difluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C19H14F2N4O2S, CAS 537667-97-3
N-(2,4-Difluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537667-97-3C19H14F2N4O2S
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide chemical structure, C20H15F3N4O3S, CAS 537667-98-4
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS 537667-98-4C20H15F3N4O3S
N-(4-Butylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C23H24N4O2S, CAS 537668-10-3
N-(4-Butylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537668-10-3C23H24N4O2S
N-(3-Fluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C19H15FN4O2S, CAS 537668-11-4
N-(3-Fluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537668-11-4C19H15FN4O2S
N-(4-Ethylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C21H20N4O2S, CAS 537668-12-5
N-(4-Ethylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-12-5C21H20N4O2S
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide chemical structure, C20H15F3N4O2S, CAS 537668-17-0
2-[(3-Methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS 537668-17-0C20H15F3N4O2S
N-(2,5-Dimethoxyphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C21H20N4O4S, CAS 537668-18-1
N-(2,5-Dimethoxyphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-18-1C21H20N4O4S
N-Mesityl-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C22H22N4O2S, CAS 537668-21-6
N-Mesityl-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-21-6C22H22N4O2S
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C20H14ClF3N4O2S, CAS 537668-47-6
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CAS 537668-47-6C20H14ClF3N4O2S
N-(4-Bromophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C19H15BrN4O2S, CAS 537668-48-7
N-(4-Bromophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-48-7C19H15BrN4O2S
N-(4-Chlorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C19H15ClN4O2S, CAS 537668-49-8
N-(4-Chlorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-49-8C19H15ClN4O2S
N-(3-Chlorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C19H15ClN4O2S, CAS 537668-50-1
N-(3-Chlorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-50-1C19H15ClN4O2S