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Murcko scaffold

Ring system with 4 rings and 27 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
6
With full pages
2
Scaffold SMILES

O=C(c1ccccc1)C1CCN(CCc2cnc3n(c2=O)CCCC3)CC1

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(c1ccccc1)C1CCN(CCc2cnc3n(c2=O)CCCC3)CC1

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 6 of 6 chemicals

DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone chemical structure, C23H27F2N3O2, CAS 158697-67-7
DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone
CAS 158697-67-7C23H27F2N3O2
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluoro-2-hydroxybenzoyl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl- chemical structure, C23H28FN3O4, CAS 152542-03-5
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluoro-2-hydroxybenzoyl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
CAS 152542-03-5C23H28FN3O4
3-(2-(4-(2-Fluoro-4-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H28FN3O3, CAS 1391053-32-9
3-(2-(4-(2-Fluoro-4-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 1391053-32-9C23H28FN3O3
3-(2-(4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H28FN3O3, CAS 152542-00-2
3-(2-(4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 152542-00-2C23H28FN3O3
3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one Hydrochloride chemical structure, C23H29ClFN3O3, CAS 2469195-84-2
3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one Hydrochloride
CAS 2469195-84-2C23H29ClFN3O3
Paliperidone impurity I chemical structure, C23H27F2N3O3, CAS 2640158-02-5
Paliperidone impurity I
CAS 2640158-02-5C23H27F2N3O3