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Murcko scaffold

Ring system with 3 rings and 18 atoms

54 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
54
With full pages
7
Scaffold SMILES

C1=CN(c2ccccc2)C=CC1c1ccccc1

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 C1=CN(c2ccccc2)C=CC1c1ccccc1

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 54 chemicals

Dimethyl 2,6-dimethyl-1,4-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C23H23NO4, CAS 83300-85-0
Dimethyl 2,6-dimethyl-1,4-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 83300-85-0C23H23NO4
Diethyl 1-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C26H29NO6, CAS 343812-08-8
Diethyl 1-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 343812-08-8C26H29NO6
Diethyl 4-(2-ethoxyphenyl)-1-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C25H26FNO5, CAS 346715-98-8
Diethyl 4-(2-ethoxyphenyl)-1-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 346715-98-8C25H26FNO5
Diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C27H31NO6, CAS 347328-28-3
Diethyl 4-(2,3-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 347328-28-3C27H31NO6
Diethyl 1-(2,5-dimethylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C28H33NO7, CAS 347330-72-7
Diethyl 1-(2,5-dimethylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 347330-72-7C28H33NO7
Dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate chemical structure, C22H20FNO5, CAS 667414-81-5
Dimethyl 4-(3-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CAS 667414-81-5C22H20FNO5
Diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate chemical structure, C25H27NO4, CAS 53219-37-7
Diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
CAS 53219-37-7C25H27NO4
Diethyl 4-(4-chlorophenyl)-1-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C24H24ClNO4, CAS 445221-82-9
Diethyl 4-(4-chlorophenyl)-1-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 445221-82-9C24H24ClNO4
Diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C25H26FNO6, CAS 832683-00-8
Diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 832683-00-8C25H26FNO6
Dimethyl 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C21H18FNO5, CAS 421582-32-3
Dimethyl 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 421582-32-3C21H18FNO5
Dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C21H18FNO5, CAS 421582-42-5
Dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 421582-42-5C21H18FNO5
Dimethyl 4-(3-chloro-4-methoxyphenyl)-1-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C24H24ClNO6, CAS 713490-85-8
Dimethyl 4-(3-chloro-4-methoxyphenyl)-1-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 713490-85-8C24H24ClNO6
Diethyl 1-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C25H26FNO5, CAS 346714-64-5
Diethyl 1-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 346714-64-5C25H26FNO5
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-1-phenyl-, diethyl ester chemical structure, C25H26N2O6, CAS 74979-70-7
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-1-phenyl-, diethyl ester
CAS 74979-70-7C25H26N2O6
Dimethyl 1-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C24H24ClNO6, CAS 694454-59-6
Dimethyl 1-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 694454-59-6C24H24ClNO6
Dimethyl 1-(3,5-dimethylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C24H25NO6, CAS 669712-35-0
Dimethyl 1-(3,5-dimethylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 669712-35-0C24H25NO6
Dimethyl 1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C23H20F3NO4, CAS 667415-07-8
Dimethyl 1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CAS 667415-07-8C23H20F3NO4
Dimethyl 4-(2-chlorophenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C21H18ClNO4, CAS 669736-05-4
Dimethyl 4-(2-chlorophenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 669736-05-4C21H18ClNO4
Dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C22H20BrNO6, CAS 669736-08-7
Dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 669736-08-7C22H20BrNO6
Dimethyl 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C22H20N2O7, CAS 667415-62-5
Dimethyl 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 667415-62-5C22H20N2O7
Dimethyl 1-(3,5-dimethylphenyl)-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C23H22FNO4, CAS 667415-64-7
Dimethyl 1-(3,5-dimethylphenyl)-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 667415-64-7C23H22FNO4
Dimethyl 4-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C22H19Cl2NO5, CAS 667415-65-8
Dimethyl 4-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 667415-65-8C22H19Cl2NO5
Dimethyl 4-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C23H21ClN2O7, CAS 669736-33-8
Dimethyl 4-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 669736-33-8C23H21ClN2O7
Dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1-(4-(methoxycarbonyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C24H23NO8, CAS 695160-64-6
Dimethyl 4-(3-hydroxy-4-methoxyphenyl)-1-(4-(methoxycarbonyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 695160-64-6C24H23NO8