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Murcko scaffold

Ring system with 2 rings and 20 atoms

14 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
20
Chemicals
14
With full pages
1
Scaffold SMILES

O=C1CCC=CCOc2ccccc2C(=O)NCCN1

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=C1CCC=CCOc2ccccc2C(=O)NCCN1

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 14 of 14 chemicals

(4E,7R,11S)-7-Amino-11-methyl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),4,14,16-tetraene-8,13-dione, hydrochloride chemical structure, C16H22ClN3O3, CAS 2241107-43-5
(4E,7R,11S)-7-Amino-11-methyl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),4,14,16-tetraene-8,13-dione, hydrochloride
CAS 2241107-43-5C16H22ClN3O3
(3E,6R,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C16H21N3O3, CAS 2241107-42-4
(3E,6R,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2241107-42-4C16H21N3O3
(3E,6S,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione hydrochloride chemical structure, C16H22ClN3O3, CAS 2241107-32-2
(3E,6S,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione hydrochloride
CAS 2241107-32-2C16H22ClN3O3
(3E,6S,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C16H21N3O3, CAS 2241107-31-1
(3E,6S,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2241107-31-1C16H21N3O3
(3E,6R,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione, trifluoroacetic acid chemical structure, C18H22F3N3O5, CAS 2377004-27-6
(3E,6R,10S)-6-Amino-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione, trifluoroacetic acid
CAS 2377004-27-6C18H22F3N3O5
(3E,10S)-6,6,10-Trimethyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C18H24N2O3, CAS 2253619-78-0
(3E,10S)-6,6,10-Trimethyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253619-78-0C18H24N2O3
(4E,10S)-7,7-Dimethyl-10-(2-methylpropyl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),4,14,16-tetraene-8,13-dione chemical structure, C21H30N2O3, CAS 2253619-61-1
(4E,10S)-7,7-Dimethyl-10-(2-methylpropyl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),4,14,16-tetraene-8,13-dione
CAS 2253619-61-1C21H30N2O3
(3E,9S)-9-(2-Methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C19H26N2O3, CAS 2253619-72-4
(3E,9S)-9-(2-Methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253619-72-4C19H26N2O3
(3E,10S)-5,5,10-Trimethyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C18H24N2O3, CAS 2253619-93-9
(3E,10S)-5,5,10-Trimethyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253619-93-9C18H24N2O3
(3E,10S)-6-Chloro-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C16H19ClN2O3, CAS 2253620-88-9
(3E,10S)-6-Chloro-10-methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253620-88-9C16H19ClN2O3
(3E,10S)-10-Methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C16H20N2O3, CAS 2253619-88-2
(3E,10S)-10-Methyl-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253619-88-2C16H20N2O3
(3E,9S)-6-Chloro-9-(2-methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C19H25ClN2O3, CAS 2253620-89-0
(3E,9S)-6-Chloro-9-(2-methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253620-89-0C19H25ClN2O3
(3E,9S)-6,6-Dimethyl-9-(2-methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C21H30N2O3
(3E,9S)-6,6-Dimethyl-9-(2-methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
C21H30N2O3
(3E,9S)-5,5-Dimethyl-9-(2-methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione chemical structure, C21H30N2O3, CAS 2253619-73-5
(3E,9S)-5,5-Dimethyl-9-(2-methylpropyl)-5,6,7,8,9,10,11,12-octahydro-2H-1,8,11-benzoxadiazacyclotetradecine-7,12-dione
CAS 2253619-73-5C21H30N2O3