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Murcko scaffold

Ring system with 2 rings and 25 atoms

59 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
25
Chemicals
59
With full pages
7
Scaffold SMILES

O=C1C=C2CCCCCCC=CCCC=CC=CC(=O)NC(=C1)C2=O

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=C2CCCCCCC=CCCC=CC=CC(=O)NC(=C1)C2=O

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 59 chemicals

Geldanamycin chemical structure, C29H40N2O9, CAS 30562-34-6
Geldanamycin
CAS 30562-34-6C29H40N2O9
Alvespimycin chemical structure, C32H48N4O8, CAS 467214-20-6
Alvespimycin
CAS 467214-20-6C32H48N4O8
Herbimycin A chemical structure, C30H42N2O9, CAS 70563-58-5
Herbimycin A
CAS 70563-58-5C30H42N2O9
[(4Z,6Z,10Z)-13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate chemical structure, C29H40N2O9, CAS 1217871-08-3
[(4Z,6Z,10Z)-13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
CAS 1217871-08-3C29H40N2O9
(4E,6Z,10E)-9-(Carbamoyloxy)-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl acetate chemical structure, C31H42N2O10, CAS 30562-36-8
(4E,6Z,10E)-9-(Carbamoyloxy)-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl acetate
CAS 30562-36-8C31H42N2O10
N,N'-Dimethylgeldanamycin GLD-91-III chemical structure, C31H44N2O9
N,N'-Dimethylgeldanamycin GLD-91-III
C31H44N2O9
2-Azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-((aminocarbonyl)oxy)-19-((2-chloroethyl)amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (8R,9R,12R,13R,14R,16R)- chemical structure, C30H42ClN3O8, CAS 71952-92-6
2-Azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-((aminocarbonyl)oxy)-19-((2-chloroethyl)amino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (8R,9R,12R,13R,14R,16R)-
CAS 71952-92-6C30H42ClN3O8
Tanespimycin chemical structure, C31H43N3O8, CAS 75747-14-7
Tanespimycin
CAS 75747-14-7C31H43N3O8
Alvespimycin hydrochloride chemical structure, C32H49ClN4O8, CAS 467214-21-7
Alvespimycin hydrochloride
CAS 467214-21-7C32H49ClN4O8
Ipi-493 chemical structure, C28H39N3O8, CAS 64202-81-9
Ipi-493
CAS 64202-81-9C28H39N3O8
Herbimycin B chemical structure, C28H38N2O8, CAS 76207-83-5
Herbimycin B
CAS 76207-83-5C28H38N2O8
17-Demethoxy-17-((2-(dimethylamino)ethyl)amino)-27-hydroxygeldanamycin chemical structure, C32H48N4O9, CAS 574717-99-0
17-Demethoxy-17-((2-(dimethylamino)ethyl)amino)-27-hydroxygeldanamycin
CAS 574717-99-0C32H48N4O9
19-Allylaminoherbimycin A chemical structure, C33H47N3O9, CAS 94513-96-9
19-Allylaminoherbimycin A
CAS 94513-96-9C33H47N3O9
17Aag metabolite M5 chemical structure, C31H45N3O10, CAS 169521-73-7
17Aag metabolite M5
CAS 169521-73-7C31H45N3O10
(15R)-6,17-Didemethoxy-15-methoxy-6-methyl-11-O-methylgeldanamycin chemical structure, C30H42N2O8, CAS 73341-72-7
(15R)-6,17-Didemethoxy-15-methoxy-6-methyl-11-O-methylgeldanamycin
CAS 73341-72-7C30H42N2O8
Geldanamycin (standard) chemical structure, C29H40N2O9, CAS 1955474-12-0
Geldanamycin (standard)
CAS 1955474-12-0C29H40N2O9
Orb1691526 chemical structure, C33H50N4O8
Orb1691526
C33H50N4O8
Gld-91-III chemical structure, C31H44N2O9, CAS 75747-32-9
Gld-91-III
CAS 75747-32-9C31H44N2O9
Geldanamycin, Streptomyces hygroscopicus chemical structure, C29H40N2O9, CAS 2648922-42-1
Geldanamycin, Streptomyces hygroscopicus
CAS 2648922-42-1C29H40N2O9
17-AAG (Hydrochloride) chemical structure, C31H44ClN3O8, CAS 911710-03-7
17-AAG (Hydrochloride)
CAS 911710-03-7C31H44ClN3O8
17Aag metabolite M9 chemical structure, C30H41N3O8, CAS 929689-93-0
17Aag metabolite M9
CAS 929689-93-0C30H41N3O8
7-Descarbamoyl 17-amino geldanamycin chemical structure, C27H38N2O7, CAS 169564-26-5
7-Descarbamoyl 17-amino geldanamycin
CAS 169564-26-5C27H38N2O7
17-AAG Hydrochloride chemical structure, C31H44ClN3O8
17-AAG Hydrochloride
C31H44ClN3O8
Aminohexylgeldanamycin chemical structure, C34H52N4O8, CAS 485395-71-9
Aminohexylgeldanamycin
CAS 485395-71-9C34H52N4O8