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Murcko scaffold

Ring system with 7 rings and 43 atoms

31 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
43
Chemicals
31
With full pages
13
Scaffold SMILES

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OCC4COC(Cn5cncn5)(c5ccccc5)O4)cc3)CC2)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=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OCC4COC(Cn5cncn5)(c5ccccc5)O4)cc3)CC2)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 31 of 31 chemicals

Itrizole chemical structure, C35H38Cl2N8O4, CAS 2049588-24-9
Itrizole
CAS 2049588-24-9C35H38Cl2N8O4
Itraconazole chemical structure, C35H38Cl2N8O4, CAS 84625-61-6
Itraconazole
CAS 84625-61-6C35H38Cl2N8O4
RefChem:1069921 chemical structure, C35H38Cl2N8O5, CAS 112559-91-8
RefChem:1069921
CAS 112559-91-8C35H38Cl2N8O5
Saperconazole chemical structure, C35H38F2N8O4, CAS 110588-57-3
Saperconazole
CAS 110588-57-3C35H38F2N8O4
Orungal chemical structure, C35H38Cl2N8O4, CAS 939027-87-9
Orungal
CAS 939027-87-9C35H38Cl2N8O4
Itraconazole, (R)-(-)- chemical structure, C35H38Cl2N8O4, CAS 154003-19-7
Itraconazole, (R)-(-)-
CAS 154003-19-7C35H38Cl2N8O4
Propyl itraconazole chemical structure, C34H36Cl2N8O4, CAS 74855-91-7
Propyl itraconazole
CAS 74855-91-7C34H36Cl2N8O4
Itraconazole, (S)-(+)- chemical structure, C35H38Cl2N8O4, CAS 154003-17-5
Itraconazole, (S)-(+)-
CAS 154003-17-5C35H38Cl2N8O4
trans-Itraconazole chemical structure, C35H38Cl2N8O4, CAS 252964-65-1
trans-Itraconazole
CAS 252964-65-1C35H38Cl2N8O4
Itraconazole, (R)-(+)- chemical structure, C35H38Cl2N8O4, CAS 154003-18-6
Itraconazole, (R)-(+)-
CAS 154003-18-6C35H38Cl2N8O4
2-Desbutyl-2-isopentyl-5-methyl Itraconazole chemical structure, C37H42Cl2N8O4, CAS 1217692-26-6
2-Desbutyl-2-isopentyl-5-methyl Itraconazole
CAS 1217692-26-6C37H42Cl2N8O4
4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one chemical structure, C31H30Cl2N8O4
4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
C31H30Cl2N8O4
Itraconazole, (S)-(-)- chemical structure, C35H38Cl2N8O4, CAS 154003-20-0
Itraconazole, (S)-(-)-
CAS 154003-20-0C35H38Cl2N8O4
(2S,4S)-Itraconazole (mixture of diastereomers) chemical structure, C35H38Cl2N8O4, CAS 916910-37-7
(2S,4S)-Itraconazole (mixture of diastereomers)
CAS 916910-37-7C35H38Cl2N8O4
Hydroxy itraconazole-d5 chemical structure, C35H38Cl2N8O5, CAS 1217524-77-0
Hydroxy itraconazole-d5
CAS 1217524-77-0C35H38Cl2N8O5
RefChem:513585 chemical structure, C35H38Cl2N8O4, CAS 1217510-38-7
RefChem:513585
CAS 1217510-38-7C35H38Cl2N8O4
Keto itraconazole chemical structure, C35H36Cl2N8O5, CAS 112560-33-5
Keto itraconazole
CAS 112560-33-5C35H36Cl2N8O5
Itraconazole-d3 chemical structure, C35H38Cl2N8O4, CAS 1217512-35-0
Itraconazole-d3
CAS 1217512-35-0C35H38Cl2N8O4
Propyl itraconazole, (±)- chemical structure, C34H36Cl2N8O4, CAS 1339803-64-3
Propyl itraconazole, (±)-
CAS 1339803-64-3C34H36Cl2N8O4
Hydroxy itraconazole-d8 chemical structure, C35H38Cl2N8O5
Hydroxy itraconazole-d8
C35H38Cl2N8O5
4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one chemical structure, C35H38Cl2N8O4
4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one
C35H38Cl2N8O4
Hydroxy itraconazole D8 chemical structure, C35H38Cl2N8O5, CAS 1217516-26-1
Hydroxy itraconazole D8
CAS 1217516-26-1C35H38Cl2N8O5
4-[4-[4-[4-[[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one chemical structure, C31H30Cl2N8O4, CAS 89848-41-9
4-[4-[4-[4-[[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
CAS 89848-41-9C31H30Cl2N8O4
Isopropyl itraconazole chemical structure, C34H36Cl2N8O4, CAS 89848-49-7
Isopropyl itraconazole
CAS 89848-49-7C34H36Cl2N8O4