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Murcko scaffold

Ring system with 6 rings and 23 atoms

4 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
23
Chemicals
4
With full pages
2
Scaffold SMILES

c1c2c(cc3c1OCO3)C1Cc3cc4c(cc3C(C2)N1)OCO4

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 c1c2c(cc3c1OCO3)C1Cc3cc4c(cc3C(C2)N1)OCO4

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 4 of 4 chemicals

23,23-Dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene chemical structure, C20H20NO4+, CAS 18830-99-4
23,23-Dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
CAS 18830-99-4C20H20NO4+
(5S,12S)-5,6,12,13-Tetrahydro-15-methylcycloocta(1,2-f:5,6-f')bis(1,3)benzodioxol-5,12-imine chemical structure, C19H17NO4, CAS 4040-75-9
(5S,12S)-5,6,12,13-Tetrahydro-15-methylcycloocta(1,2-f:5,6-f')bis(1,3)benzodioxol-5,12-imine
CAS 4040-75-9C19H17NO4
Californidine perchlorate chemical structure, C20H20ClNO8, CAS 17939-31-0
Californidine perchlorate
CAS 17939-31-0C20H20ClNO8
Orb3210351 chemical structure, C19H18ClNO8, CAS 77790-29-5
Orb3210351
CAS 77790-29-5C19H18ClNO8