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Murcko scaffold

Ring system with 7 rings and 47 atoms

27 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
47
Chemicals
27
With full pages
4
Scaffold SMILES

O=C1C=CC=CCCCCCCCCC=COC2C=c3c(ccc4c(=O)c(c5oc6cc(N7CCNCC7)cc(=O)c6nc5c34)N1)O2

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=CC=CCCCCCCCCC=COC2C=c3c(ccc4c(=O)c(c5oc6cc(N7CCNCC7)cc(=O)c6nc5c34)N1)O2

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 27 of 27 chemicals

3'-Hydroxy-5'-(piperazin-4-carbaldehyde)benzoxazinorifamycin chemical structure, C48H56N4O14, CAS 148235-98-7
3'-Hydroxy-5'-(piperazin-4-carbaldehyde)benzoxazinorifamycin
CAS 148235-98-7C48H56N4O14
3'-Hydroxy-5'-(4-sec-butylpiperazinyl)benzoxazinorifamycin chemical structure, C51H64N4O13, CAS 129791-94-2
3'-Hydroxy-5'-(4-sec-butylpiperazinyl)benzoxazinorifamycin
CAS 129791-94-2C51H64N4O13
Rifalazil chemical structure, C51H64N4O13, CAS 129791-92-0
Rifalazil
CAS 129791-92-0C51H64N4O13
3'-Hydroxy-5'-(4-propylpiperazinyl)benzoxazinorifamycin chemical structure, C50H62N4O13, CAS 133633-12-2
3'-Hydroxy-5'-(4-propylpiperazinyl)benzoxazinorifamycin
CAS 133633-12-2C50H62N4O13
25-Desacetyl-rifalazil chemical structure, C49H62N4O12, CAS 148236-03-7
25-Desacetyl-rifalazil
CAS 148236-03-7C49H62N4O12
3'-Hydroxy-5'-(4-methyl-piperazin-1-yl)benzoxazinorifamycin chemical structure, C48H58N4O13, CAS 105396-59-6
3'-Hydroxy-5'-(4-methyl-piperazin-1-yl)benzoxazinorifamycin
CAS 105396-59-6C48H58N4O13
3'-Hydroxy-5'-(4-butyl-1-piperazinyl)benzoxazinorifamycin chemical structure, C51H64N4O13, CAS 129791-91-9
3'-Hydroxy-5'-(4-butyl-1-piperazinyl)benzoxazinorifamycin
CAS 129791-91-9C51H64N4O13
Rifamycin VIII, 1,4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-5'-(4-(1-methylethyl)-1-piperazinyl)-1-oxo- chemical structure, C50H62N4O13, CAS 143526-66-3
Rifamycin VIII, 1,4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-5'-(4-(1-methylethyl)-1-piperazinyl)-1-oxo-
CAS 143526-66-3C50H62N4O13
3'-Hydroxy-5'-((4-(2-methoxy-ethyl))-1-piperazinyl)benzoxazinorifamycin chemical structure, C50H62N4O14, CAS 148236-01-5
3'-Hydroxy-5'-((4-(2-methoxy-ethyl))-1-piperazinyl)benzoxazinorifamycin
CAS 148236-01-5C50H62N4O14
3'-Hydroxy-5'-((4-(2-ethoxy-ethyl))-1-piperazinyl)benzoxazinorifamycin chemical structure, C51H64N4O14, CAS 148236-02-6
3'-Hydroxy-5'-((4-(2-ethoxy-ethyl))-1-piperazinyl)benzoxazinorifamycin
CAS 148236-02-6C51H64N4O14
3'-Hydroxy-5'-(4-ethyl-1-piperazinyl)benzoxazinorifamycin chemical structure, C49H60N4O13, CAS 143526-65-2
3'-Hydroxy-5'-(4-ethyl-1-piperazinyl)benzoxazinorifamycin
CAS 143526-65-2C49H60N4O13
3'-Hydroxy-5'(R)-(4-sec-butylpiperazinyl)benzoxazinorifamycin chemical structure, C51H64N4O13, CAS 133697-12-8
3'-Hydroxy-5'(R)-(4-sec-butylpiperazinyl)benzoxazinorifamycin
CAS 133697-12-8C51H64N4O13
3'-Hydroxy-5'(S)-(4-sec-butylpiperazinyl)benzoxazinorifamycin chemical structure, C51H64N4O13, CAS 133698-17-6
3'-Hydroxy-5'(S)-(4-sec-butylpiperazinyl)benzoxazinorifamycin
CAS 133698-17-6C51H64N4O13
3'-Hydroxy-5'-((4-(3-methyl-butyl))-1-piperazinyl)benzoxazinorifamycin chemical structure, C52H66N4O13, CAS 129791-95-3
3'-Hydroxy-5'-((4-(3-methyl-butyl))-1-piperazinyl)benzoxazinorifamycin
CAS 129791-95-3C52H66N4O13
3'-Hydroxy-5'-piperazinebenzoxazinorifamycin chemical structure, C47H56N4O13, CAS 148235-97-6
3'-Hydroxy-5'-piperazinebenzoxazinorifamycin
CAS 148235-97-6C47H56N4O13
3'-Hydroxy-5'-(4-tert-butyl-1-piperazinyl)benzoxazinorifamycin chemical structure, C51H64N4O13, CAS 143526-67-4
3'-Hydroxy-5'-(4-tert-butyl-1-piperazinyl)benzoxazinorifamycin
CAS 143526-67-4C51H64N4O13
3'-Hydroxy-5'-(4-but-3-enyl-1-piperazinyl)benzoxazinorifamycin chemical structure, C51H62N4O13, CAS 129791-98-6
3'-Hydroxy-5'-(4-but-3-enyl-1-piperazinyl)benzoxazinorifamycin
CAS 129791-98-6C51H62N4O13
3'-Hydroxy-5'-((4-(3-methyl-but-2-enyl))-1-piperazinyl)benzoxazinorifamycin chemical structure, C52H64N4O13, CAS 129791-99-7
3'-Hydroxy-5'-((4-(3-methyl-but-2-enyl))-1-piperazinyl)benzoxazinorifamycin
CAS 129791-99-7C52H64N4O13
25-Deacetyl-krm-1648 chemical structure, C49H62N4O12
25-Deacetyl-krm-1648
C49H62N4O12
Rifalazil chemical structure, C51H64N4O13
Rifalazil
C51H64N4O13
Rifalazil chemical structure, C51H64N4O13
Rifalazil
C51H64N4O13
Rifalazil chemical structure, C51H64N4O13
Rifalazil
C51H64N4O13
Rifalazil chemical structure, C51H64N4O13
Rifalazil
C51H64N4O13
Rifalazil chemical structure, C51H64N4O13
Rifalazil
C51H64N4O13