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Murcko scaffold

Ring system with 6 rings and 40 atoms

69 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
40
Chemicals
69
With full pages
4
Scaffold SMILES

O=C1C=CC=CCCCCCCCCC=COC2Oc3ccc4cc(c(C=NN5CCNCC5)cc4c3C2=O)N1

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=COC2Oc3ccc4cc(c(C=NN5CCNCC5)cc4c3C2=O)N1

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 48 of 69 chemicals

Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)-, monosodium salt chemical structure, C43H57N4NaO12, CAS 38776-75-9
Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)-, monosodium salt
CAS 38776-75-9C43H57N4NaO12
Rifampin sodium ethylhexanoate chemical structure, C51H73N4NaO14, CAS 67612-55-9
Rifampin sodium ethylhexanoate
CAS 67612-55-9C51H73N4NaO14
Rifampicin chemical structure, C43H58N4O12, CAS 13292-46-1
Rifampicin
CAS 13292-46-1C43H58N4O12
Rifampicin EP impurity B chemical structure, C43H58N4O13, CAS 125833-03-6
Rifampicin EP impurity B
CAS 125833-03-6C43H58N4O13
Demethylrifampicin chemical structure, C42H56N4O12
Demethylrifampicin
C42H56N4O12
Isoniazid, rifampin chemical structure, C49H65N7O13, CAS 51683-28-4
Isoniazid, rifampin
CAS 51683-28-4C49H65N7O13
Isoniazid, pyrazinamide, rifampin drug combination chemical structure, C54H70N10O14, CAS 161935-14-4
Isoniazid, pyrazinamide, rifampin drug combination
CAS 161935-14-4C54H70N10O14
Rifamycin, 3-(((4-(2-propenyl)-1-piperazinyl)imino)methyl)- chemical structure, C45H60N4O12, CAS 56964-36-4
Rifamycin, 3-(((4-(2-propenyl)-1-piperazinyl)imino)methyl)-
CAS 56964-36-4C45H60N4O12
[(9E,19E)-26-[(E)-(4-Ethylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate chemical structure, C44H60N4O12
[(9E,19E)-26-[(E)-(4-Ethylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
C44H60N4O12
[(9E,19E)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-[(E)-(4-propylpiperazin-1-yl)iminomethyl]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate chemical structure, C45H62N4O12, CAS 37107-25-8
[(9E,19E)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-[(E)-(4-propylpiperazin-1-yl)iminomethyl]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
CAS 37107-25-8C45H62N4O12
[(9E,19E)-26-[(E)-(4-Aminopiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate chemical structure, C42H57N5O12, CAS 37107-26-9
[(9E,19E)-26-[(E)-(4-Aminopiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
CAS 37107-26-9C42H57N5O12
[(9E,19E)-26-[(E)-(2,5-Dimethylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate chemical structure, C44H60N4O12, CAS 57029-82-0
[(9E,19E)-26-[(E)-(2,5-Dimethylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
CAS 57029-82-0C44H60N4O12
25-Desacetylrifampicin chemical structure, C41H56N4O11, CAS 16783-99-6
25-Desacetylrifampicin
CAS 16783-99-6C41H56N4O11
Rifampicin, D-methyl chemical structure, C42H56N4O12
Rifampicin, D-methyl
C42H56N4O12
[(9E,19E,21E)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-octylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate chemical structure, C50H72N4O12
[(9E,19E,21E)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-octylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
C50H72N4O12
2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-((4-hexyl-1-piperazinylimino)methyl)-, 21-acetate chemical structure, C48H68N4O12, CAS 41971-21-5
2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-((4-hexyl-1-piperazinylimino)methyl)-, 21-acetate
CAS 41971-21-5C48H68N4O12
2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-((4-pentyl-1-piperazinylimino)methyl)-, 21-acetate chemical structure, C47H66N4O12, CAS 41971-16-8
2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-((4-pentyl-1-piperazinylimino)methyl)-, 21-acetate
CAS 41971-16-8C47H66N4O12
N-Demethyl rifampin chemical structure, C42H56N4O12, CAS 13292-45-0
N-Demethyl rifampin
CAS 13292-45-0C42H56N4O12
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(Z)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate, pyrazine-2-carboxamide, pyridine-4-carbohydrazide chemical structure, C54H70N10O14
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(Z)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate, pyrazine-2-carboxamide, pyridine-4-carbohydrazide
C54H70N10O14
Rifamdin chemical structure, C46H64N4O12, CAS 89499-17-2
Rifamdin
CAS 89499-17-2C46H64N4O12
Rivicycline chemical structure, C94H119ClN14O27S, CAS 130030-59-0
Rivicycline
CAS 130030-59-0C94H119ClN14O27S
3-(4-(2-Propynyl)-1-piperazinyl)iminomethylrifamycin SV chemical structure, C45H58N4O12, CAS 56964-37-5
3-(4-(2-Propynyl)-1-piperazinyl)iminomethylrifamycin SV
CAS 56964-37-5C45H58N4O12
(12E,14E,24E)-5,6,17,19-Tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{[(4-octylpiperazin-1-yl)amino]methylidene}-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate chemical structure, C50H72N4O12, CAS 38328-83-5
(12E,14E,24E)-5,6,17,19-Tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{[(4-octylpiperazin-1-yl)amino]methylidene}-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
CAS 38328-83-5C50H72N4O12
Ac-Gln-Trp-Leu-NH2 chemical structure, C43H58N4O12, CAS 283163-41-7
Ac-Gln-Trp-Leu-NH2
CAS 283163-41-7C43H58N4O12