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Murcko scaffold

Ring system with 7 rings and 38 atoms

21 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
38
Chemicals
21
With full pages
4
Scaffold SMILES

O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc2nc1-3

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)Cc1cc2cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc2nc1-3

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 21 of 21 chemicals

Camptosar chemical structure, C33H45ClN4O9, CAS 136572-09-3
Camptosar
CAS 136572-09-3C33H45ClN4O9
Irinotecan chemical structure, C33H38N4O6, CAS 97682-44-5
Irinotecan
CAS 97682-44-5C33H38N4O6
Irinotecan hydrochloride chemical structure, C33H39ClN4O6, CAS 100286-90-6
Irinotecan hydrochloride
CAS 100286-90-6C33H39ClN4O6
Irinotecan hydrochloride [M+H]+ chemical structure, C33H39ClN4O6, CAS 1184916-73-1
Irinotecan hydrochloride [M+H]+
CAS 1184916-73-1C33H39ClN4O6
(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate chemical structure, C33H38N4O6, CAS 1255644-71-3
(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
CAS 1255644-71-3C33H38N4O6
Irinotecan-d10 chemical structure, C33H38N4O6, CAS 718613-28-6
Irinotecan-d10
CAS 718613-28-6C33H38N4O6
Capiri chemical structure, C48H60FN7O12, CAS 1100690-10-5
Capiri
CAS 1100690-10-5C48H60FN7O12
11-Desethyl irinotecan chemical structure, C31H34N4O6, CAS 103816-16-6
11-Desethyl irinotecan
CAS 103816-16-6C31H34N4O6
Simmitecan free base chemical structure, C34H38N4O6, CAS 951290-31-6
Simmitecan free base
CAS 951290-31-6C34H38N4O6
Irinotecan-d10 hydrochloride (major) chemical structure, C33H39ClN4O6, CAS 718612-62-5
Irinotecan-d10 hydrochloride (major)
CAS 718612-62-5C33H39ClN4O6
(4S)-4,11-Diethyl-4,12-dihydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate chemical structure, C33H38N4O7, CAS 185336-12-3
(4S)-4,11-Diethyl-4,12-dihydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
CAS 185336-12-3C33H38N4O7
2-Hydroxy irinotecan chemical structure, C33H38N4O7, CAS 1346597-39-4
2-Hydroxy irinotecan
CAS 1346597-39-4C33H38N4O7
8-Ethyl irinotecan chemical structure, C35H42N4O6, CAS 947687-02-7
8-Ethyl irinotecan
CAS 947687-02-7C35H42N4O6
Irinotecan EP impurity H chemical structure, C32H36N4O6, CAS 1608617-71-5
Irinotecan EP impurity H
CAS 1608617-71-5C32H36N4O6
Simmitecan chemical structure, C34H39ClN4O6, CAS 1247847-78-4
Simmitecan
CAS 1247847-78-4C34H39ClN4O6
(R)-Irinotecan hydrochloride trihydrate chemical structure, C33H45ClN4O9, CAS 3105679-83-9
(R)-Irinotecan hydrochloride trihydrate
CAS 3105679-83-9C33H45ClN4O9
Oratecan chemical structure, C33H39ClN4O6, CAS 1992961-26-8
Oratecan
CAS 1992961-26-8C33H39ClN4O6
FOLFIRI Regimen chemical structure, C57H64FN13O15, CAS 1000669-05-5
FOLFIRI Regimen
CAS 1000669-05-5C57H64FN13O15
Irinotecan EP impurity K chemical structure, C34H40N4O7, CAS 2508174-07-8
Irinotecan EP impurity K
CAS 2508174-07-8C34H40N4O7
Irinotecan EP Impurity H HCl chemical structure, C32H37ClN4O6, CAS 1608463-33-7
Irinotecan EP Impurity H HCl
CAS 1608463-33-7C32H37ClN4O6
Irinotecan EP Impurity A HCl Trihydrate chemical structure, C31H41ClN4O9, CAS 158406-44-1
Irinotecan EP Impurity A HCl Trihydrate
CAS 158406-44-1C31H41ClN4O9