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Murcko scaffold

Ring system with 7 rings and 47 atoms

11 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
47
Chemicals
11
With full pages
0
Scaffold SMILES

O=C1C=CC=CCCCCCCCCC=COC2C=c3c(ccc4c(=O)c(c5oc6cc(N7CCCCC7)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(N7CCCCC7)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 11 of 11 chemicals

Dmdna31 chemical structure, C50H62N4O13, CAS 845625-44-7
Dmdna31
CAS 845625-44-7C50H62N4O13
3'-Hydroxy-5'-piperidinbenzoxazinorifamycin chemical structure, C48H57N3O13, CAS 105396-58-5
3'-Hydroxy-5'-piperidinbenzoxazinorifamycin
CAS 105396-58-5C48H57N3O13
[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate chemical structure, C48H58N4O13, CAS 845626-57-5
[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
CAS 845626-57-5C48H58N4O13
Rifalogue chemical structure, C50H62N4O13
Rifalogue
C50H62N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate chemical structure, C48H58N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
C48H58N4O13
Rifalogue chemical structure, C50H62N4O13
Rifalogue
C50H62N4O13
Orb1709848 chemical structure, C48H58N4O13
Orb1709848
C48H58N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-30-[4-(Dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate chemical structure, C50H62N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-30-[4-(Dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
C50H62N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate chemical structure, C48H58N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
C48H58N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate chemical structure, C48H58N4O13
[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-30-(4-Aminopiperidin-1-yl)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
C48H58N4O13
[(7S,11S,14R,15R,16R,17S,18S,19E,21E)-30-[4-(Dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate chemical structure, C50H62N4O13
[(7S,11S,14R,15R,16R,17S,18S,19E,21E)-30-[4-(Dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
C50H62N4O13