CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 15 atoms

13 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
13
With full pages
1
Scaffold SMILES

O=C1c2ccccc2NCC2CC=CN12

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=C1c2ccccc2NCC2CC=CN12

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 13 of 13 chemicals

Porothramycin B chemical structure, C19H23N3O4, CAS 110652-72-7
Porothramycin B
CAS 110652-72-7C19H23N3O4
(2E)-3-((11R,11aS)-5,10,11,11a-Tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-2-propenamide chemical structure, C17H19N3O4, CAS 5544-25-2
(2E)-3-((11R,11aS)-5,10,11,11a-Tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-2-propenamide
CAS 5544-25-2C17H19N3O4
Mazethramycin B chemical structure, C18H21N3O4, CAS 68373-95-5
Mazethramycin B
CAS 68373-95-5C18H21N3O4
Anthramycin 11-methyl ether chemical structure, C17H19N3O4, CAS 7683-27-4
Anthramycin 11-methyl ether
CAS 7683-27-4C17H19N3O4
2-Propenenitrile, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))- chemical structure, C17H17N3O3, CAS 72506-76-4
2-Propenenitrile, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))-
CAS 72506-76-4C17H17N3O3
2-Propenamide, 3-(10-acetyl-5,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1H-pyroolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))- chemical structure, C18H19N3O5, CAS 72521-70-1
2-Propenamide, 3-(10-acetyl-5,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1H-pyroolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))-
CAS 72521-70-1C18H19N3O5
(E)-5,10,11,11a-Tetrahydro-8,11-dimethoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepine-2-acrylamide chemical structure, C18H21N3O4, CAS 19483-02-4
(E)-5,10,11,11a-Tetrahydro-8,11-dimethoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepine-2-acrylamide
CAS 19483-02-4C18H21N3O4
Anthramycin chemical structure, C16H17N3O4, CAS 4803-27-4
Anthramycin
CAS 4803-27-4C16H17N3O4
Limazepine B1 chemical structure, C15H18N2O4, CAS 1143525-61-4
Limazepine B1
CAS 1143525-61-4C15H18N2O4
Limazepine B2 chemical structure, C15H18N2O4, CAS 1143525-62-5
Limazepine B2
CAS 1143525-62-5C15H18N2O4
Porothramycin A chemical structure, C18H21N3O4, CAS 110652-73-8
Porothramycin A
CAS 110652-73-8C18H21N3O4
Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate chemical structure, C24H34N2O6Si, CAS 1430738-28-5
Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
CAS 1430738-28-5C24H34N2O6Si
(11 S,11aS)-Allyl 11-((tert-butyldimethylsilyl)oxy)-8-((5-iodopentyl)oxy)-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate chemical structure, C29H43IN2O6Si, CAS 1430738-29-6
(11 S,11aS)-Allyl 11-((tert-butyldimethylsilyl)oxy)-8-((5-iodopentyl)oxy)-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
CAS 1430738-29-6C29H43IN2O6Si