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Murcko scaffold

Ring system with 7 rings and 27 atoms

76 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
27
Chemicals
76
With full pages
7
Scaffold SMILES

O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1ccccc1

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=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1c1ccccc1

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 49 to 76 of 76 chemicals

2-Butoxyethyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name) chemical structure, C31H29NO5, CAS 474377-60-1
2-Butoxyethyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
CAS 474377-60-1C31H29NO5
13-(4-Chloro-3-fluorophenyl)-9-methyl-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione chemical structure, C25H17ClFNO2, CAS 461647-31-4
13-(4-Chloro-3-fluorophenyl)-9-methyl-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
CAS 461647-31-4C25H17ClFNO2
3-(1-Nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid chemical structure, C25H16N2O6, CAS 690991-06-1
3-(1-Nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
CAS 690991-06-1C25H16N2O6
Ethyl 4-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate chemical structure, C27H20N2O6, CAS 664992-87-4
Ethyl 4-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
CAS 664992-87-4C27H20N2O6
17-(4-Acetylphenyl)-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione chemical structure, C26H19NO3, CAS 293324-34-2
17-(4-Acetylphenyl)-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CAS 293324-34-2C26H19NO3
17-(3-Nitrophenyl)-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione chemical structure, C24H16N2O4, CAS 57663-55-5
17-(3-Nitrophenyl)-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CAS 57663-55-5C24H16N2O4
13-(4-Methoxyphenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione chemical structure, C25H19NO3, CAS 57663-59-9
13-(4-Methoxyphenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
CAS 57663-59-9C25H19NO3
4-(15-Methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid chemical structure, C26H19NO4, CAS 332400-30-3
4-(15-Methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
CAS 332400-30-3C26H19NO4
17-(3,4-Dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione chemical structure, C27H23NO2, CAS 331750-97-1
17-(3,4-Dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CAS 331750-97-1C27H23NO2
17-[3-(Trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione chemical structure, C25H16F3NO2, CAS 328555-36-8
17-[3-(Trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CAS 328555-36-8C25H16F3NO2
17-(4-Acetylphenyl)-1,8-dibromo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione chemical structure, C26H17Br2NO3, CAS 331751-00-9
17-(4-Acetylphenyl)-1,8-dibromo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CAS 331751-00-9C26H17Br2NO3
3-(1,8-Dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid chemical structure, C25H15Br2NO4, CAS 331944-87-7
3-(1,8-Dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
CAS 331944-87-7C25H15Br2NO4
1,8-Dibromo-17-(4-hydroxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione chemical structure, C24H15Br2NO3, CAS 331944-92-4
1,8-Dibromo-17-(4-hydroxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CAS 331944-92-4C24H15Br2NO3
Octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name) chemical structure, C33H31Br2NO4, CAS 497936-82-0
Octyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
CAS 497936-82-0C33H31Br2NO4
17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name) chemical structure, C25H15BrN2O5, CAS 332018-10-7
17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)
CAS 332018-10-7C25H15BrN2O5
Methyl 4-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate chemical structure, C26H18BrNO4, CAS 332031-48-8
Methyl 4-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
CAS 332031-48-8C26H18BrNO4
17-(2,4-Dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid chemical structure, C25H15Cl2NO4, CAS 353487-71-5
17-(2,4-Dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
CAS 353487-71-5C25H15Cl2NO4
2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]-nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid chemical structure, C25H16N2O6, CAS 499999-52-9
2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]-nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid
CAS 499999-52-9C25H16N2O6
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid chemical structure, C25H17NO4, CAS 313653-93-9
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
CAS 313653-93-9C25H17NO4
Ethyl 2-(1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate chemical structure, C29H25NO4, CAS 312503-39-2
Ethyl 2-(1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
CAS 312503-39-2C29H25NO4
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl decanoate chemical structure, C34H35NO4, CAS 956763-86-3
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl decanoate
CAS 956763-86-3C34H35NO4
Ethyl 4-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoate chemical structure, C27H21NO4, CAS 297140-40-0
Ethyl 4-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoate
CAS 297140-40-0C27H21NO4
4-[16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-isopropylbenzenecarboxamide chemical structure, C28H24N2O3, CAS 861209-02-1
4-[16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-isopropylbenzenecarboxamide
CAS 861209-02-1C28H24N2O3
17-(4-Iodophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde chemical structure, C25H16INO3, CAS 359901-17-0
17-(4-Iodophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
CAS 359901-17-0C25H16INO3