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Murcko scaffold

Ring system with 9 rings and 39 atoms

12 chemicals on CompoundList share this ring system.

Rings
9
Scaffold atoms
39
Chemicals
12
With full pages
3
Scaffold SMILES

c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3cc4c(c(c31)Oc1ccc3c(c1)C(C2)NCC3)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 c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3cc4c(c(c31)Oc1ccc3c(c1)C(C2)NCC3)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 12 of 12 chemicals

Cepharanthine chemical structure, C37H38N2O6, CAS 481-49-2
Cepharanthine
CAS 481-49-2C37H38N2O6
(+)-2'-Norcepharanthine chemical structure, C36H36N2O6, CAS 104386-91-6
(+)-2'-Norcepharanthine
CAS 104386-91-6C36H36N2O6
(14R,14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-1,14-dimethyl-1H-4,6:16,19-Dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline 14-oxide chemical structure, C37H38N2O7, CAS 104386-92-7
(14R,14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-1,14-dimethyl-1H-4,6:16,19-Dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline 14-oxide
CAS 104386-92-7C37H38N2O7
Cepharanoline chemical structure, C36H36N2O6, CAS 27686-34-6
Cepharanoline
CAS 27686-34-6C36H36N2O6
(14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-14-methyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2 inverted exclamation marka,3 inverted exclamation marka:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline chemical structure, C36H36N2O6, CAS 123854-64-8
(14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-14-methyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2 inverted exclamation marka,3 inverted exclamation marka:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline
CAS 123854-64-8C36H36N2O6
(1S,14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-1,14-dimethyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline 1-oxide chemical structure, C37H38N2O7, CAS 1431330-92-5
(1S,14aS,26aR)-2,3,13,14,14a,15,26,26a-Octahydro-22,30-dimethoxy-1,14-dimethyl-1H-4,6:16,19-dietheno-21,25-metheno-12H-[1,3]dioxolo[4,5-g]pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline 1-oxide
CAS 1431330-92-5C37H38N2O7
(+)-Cepharanthine 2-alpha-N-oxide chemical structure, C37H38N2O7
(+)-Cepharanthine 2-alpha-N-oxide
C37H38N2O7
Cepharanthine-d6 chemical structure, C37H38N2O6, CAS 2807410-03-1
Cepharanthine-d6
CAS 2807410-03-1C37H38N2O6
Cepharanthine-d7 chemical structure, C37H38N2O6, CAS 2807410-02-0
Cepharanthine-d7
CAS 2807410-02-0C37H38N2O6
(14R,27S)-6,6,9,23,24,32,34,36-Octadeuterio-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene chemical structure, C37H38N2O6, CAS 2807410-04-2
(14R,27S)-6,6,9,23,24,32,34,36-Octadeuterio-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene
CAS 2807410-04-2C37H38N2O6
36,54-Dimethoxy-16,32-dimethyl-15,16,17,18,31,32,33,34-octahydro-2,6-dioxa-1(4,5)-[1,3]dioxolo[4,5-g]isoquinolina-3(7,1)-isoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane-12,12,19,35,38,52,55,56,72,7 chemical structure, C37H38N2O6, CAS 2806719-35-5
36,54-Dimethoxy-16,32-dimethyl-15,16,17,18,31,32,33,34-octahydro-2,6-dioxa-1(4,5)-[1,3]dioxolo[4,5-g]isoquinolina-3(7,1)-isoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane-12,12,19,35,38,52,55,56,72,7
CAS 2806719-35-5C37H38N2O6
Orb2893304 chemical structure, C37H40Cl2N2O6, CAS 6014-83-1
Orb2893304
CAS 6014-83-1C37H40Cl2N2O6