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Murcko scaffold

Ring system with 6 rings and 26 atoms

79 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
26
Chemicals
79
With full pages
3
Scaffold SMILES

O=C1Cc2cc3n(c(=O)c2CO1)Cc1c-3nc2cccc3c2c1CCC3

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=C1Cc2cc3n(c(=O)c2CO1)Cc1c-3nc2cccc3c2c1CCC3

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 79 chemicals

Exatecan mesylate chemical structure, C25H30FN3O9S, CAS 197720-53-9
Exatecan mesylate
CAS 197720-53-9C25H30FN3O9S
Exatecan chemical structure, C24H22FN3O4, CAS 171335-80-1
Exatecan
CAS 171335-80-1C24H22FN3O4
(1S,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 2489613-17-2
(1S,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione
CAS 2489613-17-2C24H22FN3O4
Exatecan mesylate anhydrous chemical structure, C25H26FN3O7S, CAS 169869-90-3
Exatecan mesylate anhydrous
CAS 169869-90-3C25H26FN3O7S
Exatecan hydrochloride chemical structure, C24H23ClFN3O4, CAS 144008-87-7
Exatecan hydrochloride
CAS 144008-87-7C24H23ClFN3O4
Topoisomerase I inhibitor 8 chemical structure, C24H21FN2O4, CAS 210346-40-0
Topoisomerase I inhibitor 8
CAS 210346-40-0C24H21FN2O4
(10S,23S)-23-Amino-10-ethyl-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione chemical structure, C23H20FN3O4, CAS 200438-24-0
(10S,23S)-23-Amino-10-ethyl-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS 200438-24-0C23H20FN3O4
Exatecan intermediate 9 chemical structure, C26H24FN3O5, CAS 2290562-59-1
Exatecan intermediate 9
CAS 2290562-59-1C26H24FN3O5
(9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 367452-96-8
(9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione
CAS 367452-96-8C24H22FN3O4
4-NH2-Exatecan chemical structure, C23H21N3O4, CAS 2495742-21-5
4-NH2-Exatecan
CAS 2495742-21-5C23H21N3O4
(9S)-9-Ethyl-5-fluoro-2,3-dihydro-9-hydroxy-4-methyl-1-trifluoroacetylamino-1H,12H-benzo[de]pyrano [3',4':6,7]indolizino[1,2-b]quinoline-10,13(9H,15H)-dione chemical structure, C26H21F4N3O5, CAS 2290563-07-2
(9S)-9-Ethyl-5-fluoro-2,3-dihydro-9-hydroxy-4-methyl-1-trifluoroacetylamino-1H,12H-benzo[de]pyrano [3',4':6,7]indolizino[1,2-b]quinoline-10,13(9H,15H)-dione
CAS 2290563-07-2C26H21F4N3O5
(10S)-23-Amino-10-ethyl-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione chemical structure, C23H21N3O4, CAS 2409592-03-4
(10S)-23-Amino-10-ethyl-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS 2409592-03-4C23H21N3O4
(1R,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 2489613-15-0
(1R,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione
CAS 2489613-15-0C24H22FN3O4
(1R,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 2231666-57-0
(1R,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione
CAS 2231666-57-0C24H22FN3O4
(10S,23S)-23-Amino-10-ethyl-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione chemical structure, C23H21N3O4, CAS 143655-66-7
(10S,23S)-23-Amino-10-ethyl-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS 143655-66-7C23H21N3O4
Glycyl-exatecan chemical structure, C26H25FN4O5, CAS 849479-60-3
Glycyl-exatecan
CAS 849479-60-3C26H25FN4O5
23-Amino-10-ethyl-18-fluoro-10,21-dihydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione chemical structure, C24H22FN3O5, CAS 349484-08-8
23-Amino-10-ethyl-18-fluoro-10,21-dihydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS 349484-08-8C24H22FN3O5
Impurity of exatecan chemical structure, C25H26FN3O7S, CAS 367452-97-9
Impurity of exatecan
CAS 367452-97-9C25H26FN3O7S
Exatecan analog 13 chemical structure, C28H29FN4O5, CAS 1599439-47-0
Exatecan analog 13
CAS 1599439-47-0C28H29FN4O5
RefChem:1090667 chemical structure, C26H24FN3O6, CAS 1599440-33-1
RefChem:1090667
CAS 1599440-33-1C26H24FN3O6
Deruxtecan analog 2 chemical structure, C29H30FN5O7, CAS 1599440-10-4
Deruxtecan analog 2
CAS 1599440-10-4C29H30FN5O7
(1R)-Ac-Exatecan chemical structure, C26H24FN3O5, CAS 3029450-04-9
(1R)-Ac-Exatecan
CAS 3029450-04-9C26H24FN3O5
Ac-Exatecan chemical structure, C26H24FN3O5, CAS 2922852-48-8
Ac-Exatecan
CAS 2922852-48-8C26H24FN3O5
NH2-methylpropanamide-Exatecan chemical structure, C28H29FN4O5, CAS 1817857-34-3
NH2-methylpropanamide-Exatecan
CAS 1817857-34-3C28H29FN4O5