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Murcko scaffold

Ring system with 5 rings and 32 atoms

166 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
166
With full pages
8
Scaffold SMILES

O=C1C=CC=CCCCCCCCCC=COC2Oc3ccc4cc(ccc4c3C2=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(ccc4c3C2=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 166 chemicals

Rifogal chemical structure, C37H47NO12
Rifogal
C37H47NO12
Desacetyl rifamycin SV chemical structure, C35H45NO11
Desacetyl rifamycin SV
C35H45NO11
[26-[(Dimethylamino)methyl]-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, C40H54N2O12, CAS 4135-85-7
[26-[(Dimethylamino)methyl]-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 4135-85-7C40H54N2O12
Rifamycin SV, cosmo chemical structure, C37H47NO12, CAS 15105-92-7
Rifamycin SV, cosmo
CAS 15105-92-7C37H47NO12
[(9E,19E,21Z)-26-(Dimethoxymethyl)-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(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate chemical structure, C40H53NO14
[(9E,19E,21Z)-26-(Dimethoxymethyl)-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(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate
C40H53NO14
3-Methylaminomethylrifamycin SV chemical structure, C39H52N2O12, CAS 62921-33-9
3-Methylaminomethylrifamycin SV
CAS 62921-33-9C39H52N2O12
3-Propylaminomethyl rifamycin SV chemical structure, C41H56N2O12, CAS 63624-39-5
3-Propylaminomethyl rifamycin SV
CAS 63624-39-5C41H56N2O12
3-Aminomethylrifamycin SV chemical structure, C38H50N2O12, CAS 62921-32-8
3-Aminomethylrifamycin SV
CAS 62921-32-8C38H50N2O12
[(9E,19E,21Z)-26-(Ethylaminomethyl)-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, C40H54N2O12, CAS 38129-09-8
[(9E,19E,21Z)-26-(Ethylaminomethyl)-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 38129-09-8C40H54N2O12
Rifamycin B butylmethylamide chemical structure, C44H60N2O13, CAS 16784-08-0
Rifamycin B butylmethylamide
CAS 16784-08-0C44H60N2O13
[(9E,19E,21E)-26-[2-(Dimethylamino)ethylsulfanyl]-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(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate chemical structure, C41H56N2O12S, CAS 13724-91-9
[(9E,19E,21E)-26-[2-(Dimethylamino)ethylsulfanyl]-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(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate
CAS 13724-91-9C41H56N2O12S
Rifamycin B dipropylethylhydrazide chemical structure, C47H67N3O13, CAS 38123-24-9
Rifamycin B dipropylethylhydrazide
CAS 38123-24-9C47H67N3O13
Rifamycin B tripropylhydrazide chemical structure, C48H69N3O13, CAS 38123-25-0
Rifamycin B tripropylhydrazide
CAS 38123-25-0C48H69N3O13
Rifamycin B chemical structure, C39H49NO14, CAS 13929-35-6
Rifamycin B
CAS 13929-35-6C39H49NO14
[(9E,19E,21Z)-27-[2-[Diethylamino(propyl)amino]-2-oxoethoxy]-2,15,17,29-tetrahydroxy-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, C46H65N3O13
[(9E,19E,21Z)-27-[2-[Diethylamino(propyl)amino]-2-oxoethoxy]-2,15,17,29-tetrahydroxy-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
C46H65N3O13
[(9E,19E,21Z)-27-[2-(Ethylamino)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-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, C41H54N2O13
[(9E,19E,21Z)-27-[2-(Ethylamino)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-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
C41H54N2O13
Rifamycin chemical structure, C37H47NO12, CAS 6998-60-3
Rifamycin
CAS 6998-60-3C37H47NO12
Rifamide chemical structure, C43H58N2O13, CAS 2750-76-7
Rifamide
CAS 2750-76-7C43H58N2O13
3-Formylrifamycin chemical structure, C38H47NO13, CAS 13292-22-3
3-Formylrifamycin
CAS 13292-22-3C38H47NO13
3-Formyl-25-desacetylrifamycin chemical structure, C36H45NO12, CAS 16783-97-4
3-Formyl-25-desacetylrifamycin
CAS 16783-97-4C36H45NO12
Rifamycin B dimethylpropylhydrazide chemical structure, C44H61N3O13, CAS 17607-49-7
Rifamycin B dimethylpropylhydrazide
CAS 17607-49-7C44H61N3O13
Rifamycin B butyldimethylhydrazide chemical structure, C45H63N3O13, CAS 17607-47-5
Rifamycin B butyldimethylhydrazide
CAS 17607-47-5C45H63N3O13
Rifamycin B diethylmethylhydrazide chemical structure, C44H61N3O13, CAS 38123-21-6
Rifamycin B diethylmethylhydrazide
CAS 38123-21-6C44H61N3O13
Rifamycin B trimethylhydrazide chemical structure, C42H57N3O13, CAS 17607-46-4
Rifamycin B trimethylhydrazide
CAS 17607-46-4C42H57N3O13