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Murcko scaffold

Ring system with 5 rings and 28 atoms

44 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
44
With full pages
8
Scaffold SMILES

O=c1c(CCN2CCC(c3noc4ccccc34)CC2)cnc2n1CCCC2

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=c1c(CCN2CCC(c3noc4ccccc34)CC2)cnc2n1CCCC2

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 44 of 44 chemicals

Risperidone chemical structure, C23H27FN4O2, CAS 106266-06-2
Risperidone
CAS 106266-06-2C23H27FN4O2
Paliperidone chemical structure, C23H27FN4O3, CAS 144598-75-4
Paliperidone
CAS 144598-75-4C23H27FN4O3
9-OH-Risperidone chemical structure, C23H27FN4O3, CAS 147663-04-5
9-OH-Risperidone
CAS 147663-04-5C23H27FN4O3
(R)-9-Hydroxy risperidone chemical structure, C23H27FN4O3, CAS 130049-85-3
(R)-9-Hydroxy risperidone
CAS 130049-85-3C23H27FN4O3
(S)-Paliperidone chemical structure, C23H27FN4O3, CAS 147663-01-2
(S)-Paliperidone
CAS 147663-01-2C23H27FN4O3
Paliperidone palmitate chemical structure, C39H57FN4O4, CAS 199739-10-1
Paliperidone palmitate
CAS 199739-10-1C39H57FN4O4
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:1) chemical structure, C23H28ClFN4O2, CAS 666179-74-4
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-, hydrochloride (1:1)
CAS 666179-74-4C23H28ClFN4O2
Risperidone mesylate chemical structure, C24H31FN4O5S, CAS 666179-96-0
Risperidone mesylate
CAS 666179-96-0C24H31FN4O5S
Desfluororisperidone chemical structure, C23H28N4O2, CAS 106266-09-5
Desfluororisperidone
CAS 106266-09-5C23H28N4O2
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-7-methoxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one chemical structure, C24H29FN4O3, CAS 130049-83-1
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-7-methoxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CAS 130049-83-1C24H29FN4O3
9-Methyl risperidone chemical structure, C24H29FN4O2, CAS 138271-01-9
9-Methyl risperidone
CAS 138271-01-9C24H29FN4O2
(R)-Paliperidone palmitate chemical structure, C39H57FN4O4, CAS 2197502-21-7
(R)-Paliperidone palmitate
CAS 2197502-21-7C39H57FN4O4
Paliperidone N-oxide chemical structure, C23H27FN4O4, CAS 761460-08-6
Paliperidone N-oxide
CAS 761460-08-6C23H27FN4O4
3-(2-(4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)(~2~H_4_)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one chemical structure, C23H27FN4O3, CAS 1020719-55-4
3-(2-(4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)(~2~H_4_)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one
CAS 1020719-55-4C23H27FN4O3
Risperidone-d4 chemical structure, C23H27FN4O2, CAS 1020719-76-9
Risperidone-d4
CAS 1020719-76-9C23H27FN4O2
Paliperidone impurity 38 chemical structure, C37H53FN4O4, CAS 1172995-11-7
Paliperidone impurity 38
CAS 1172995-11-7C37H53FN4O4
Octadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester chemical structure, C41H61FN4O4, CAS 1172995-13-9
Octadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester
CAS 1172995-13-9C41H61FN4O4
5-Fluororisperidone chemical structure, C23H27FN4O2, CAS 1199589-74-6
5-Fluororisperidone
CAS 1199589-74-6C23H27FN4O2
7-Hydroxy risperidone-d4 chemical structure, C23H27FN4O3, CAS 1215454-04-8
7-Hydroxy risperidone-d4
CAS 1215454-04-8C23H27FN4O3
Risperidone-D5 chemical structure, C23H27FN4O2, CAS 1225444-63-2
Risperidone-D5
CAS 1225444-63-2C23H27FN4O2
9-O-AcetylPaliperidone chemical structure, C25H29FN4O4, CAS 130049-87-5
9-O-AcetylPaliperidone
CAS 130049-87-5C25H29FN4O4
Risperidone Pyrimidinone-N-oxide(Risperidone impurity) chemical structure, C23H27FN4O3, CAS 1301724-91-3
Risperidone Pyrimidinone-N-oxide(Risperidone impurity)
CAS 1301724-91-3C23H27FN4O3
2-Desmethyl paliperidone chemical structure, C22H25FN4O3, CAS 1268058-08-7
2-Desmethyl paliperidone
CAS 1268058-08-7C22H25FN4O3
Risperidone-D6 chemical structure, C23H27FN4O2, CAS 1225444-65-4
Risperidone-D6
CAS 1225444-65-4C23H27FN4O2