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Murcko scaffold

5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- scaffold

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
18
With full pages
2
Scaffold SMILES

O=C1c2ccccc2NCC2CCCN12

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 scaffoldOpen the 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- page
Murcko scaffold O=C1c2ccccc2NCC2CCCN12

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 18 of 18 chemicals

Chicamycin A chemical structure, C14H18N2O5, CAS 89675-37-6
Chicamycin A
CAS 89675-37-6C14H18N2O5
RK 1441A chemical structure, C14H18N2O5, CAS 132035-29-1
RK 1441A
CAS 132035-29-1C14H18N2O5
(3S,11aS)-3,8-Dihydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one chemical structure, C13H16N2O4, CAS 72263-04-8
(3S,11aS)-3,8-Dihydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
CAS 72263-04-8C13H16N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- chemical structure, C12H14N2O, CAS 5544-20-7
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-
CAS 5544-20-7C12H14N2O
2,3,5,10,11,11a-Hexahydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepine-2-propionamide chemical structure, C16H21N3O3, CAS 5550-39-0
2,3,5,10,11,11a-Hexahydro-9-hydroxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepine-2-propionamide
CAS 5550-39-0C16H21N3O3
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-6-methyl- chemical structure, C14H18N2O2, CAS 116564-72-8
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-6-methyl-
CAS 116564-72-8C14H18N2O2
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl- chemical structure, C14H18N2O2, CAS 116564-73-9
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-7-methyl-
CAS 116564-73-9C14H18N2O2
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-9-methyl- chemical structure, C14H18N2O2, CAS 116564-74-0
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-11-methoxy-9-methyl-
CAS 116564-74-0C14H18N2O2
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-8-chloro-11-methoxy- chemical structure, C13H15ClN2O2, CAS 116564-75-1
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-8-chloro-11-methoxy-
CAS 116564-75-1C13H15ClN2O2
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-7,8,11-trimethoxy- chemical structure, C15H20N2O4, CAS 116564-76-2
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-7,8,11-trimethoxy-
CAS 116564-76-2C15H20N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)- chemical structure, C13H16N2O4, CAS 72274-97-6
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-
CAS 72274-97-6C13H16N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-, (3S-trans)- chemical structure, C17H24N2O4, CAS 63407-31-8
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-, (3S-trans)-
CAS 63407-31-8C17H24N2O4
1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one chemical structure, C13H16N2O3, CAS 71444-85-4
1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CAS 71444-85-4C13H16N2O3
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-, (3R-cis)- chemical structure, C17H24N2O4, CAS 72274-96-5
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,10,11,11a-hexahydro-8-hydroxy-7-methoxy-, (3R-cis)-
CAS 72274-96-5C17H24N2O4
1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one chemical structure, C14H18N2O4, CAS 72435-85-9
1,2,3,10,11,11a-Hexahydro-2,9-dihydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CAS 72435-85-9C14H18N2O4
2-(Acetyloxy)-1,2,3,10,11,11a-hexahydro-9-hydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiozepin-5-one chemical structure, C16H20N2O5, CAS 72435-86-0
2-(Acetyloxy)-1,2,3,10,11,11a-hexahydro-9-hydroxy-11-methoxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiozepin-5-one
CAS 72435-86-0C16H20N2O5
Abbeymycin chemical structure, C13H16N2O3, CAS 108073-64-9
Abbeymycin
CAS 108073-64-9C13H16N2O3
(11aR)-1,2,3,10,11,11a-Hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one chemical structure, C12H14N2O, CAS 214143-90-5
(11aR)-1,2,3,10,11,11a-Hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
CAS 214143-90-5C12H14N2O