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Murcko scaffold

LD 490 scaffold

36 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
36
With full pages
12
Scaffold SMILES

O=c1ccc2cc3c4c(c2o1)CCCN4CCC3

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 LD 490 page
Murcko scaffold O=c1ccc2cc3c4c(c2o1)CCCN4CCC3

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 36 of 36 chemicals

Coumarin 153 chemical structure, C16H14F3NO2, CAS 53518-18-6
Coumarin 153
CAS 53518-18-6C16H14F3NO2
Coumarin 314 chemical structure, C18H19NO4, CAS 55804-66-5
Coumarin 314
CAS 55804-66-5C18H19NO4
Coumarin 337 chemical structure, C16H14N2O2, CAS 55804-68-7
Coumarin 337
CAS 55804-68-7C16H14N2O2
Coumarin 521 chemical structure, C17H17NO3, CAS 55804-67-6
Coumarin 521
CAS 55804-67-6C17H17NO3
LD 490 chemical structure, C15H15NO2, CAS 58336-35-9
LD 490
CAS 58336-35-9C15H15NO2
2,3,6,7-Tetrahydro-9-methyl-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-one chemical structure, C16H17NO2, CAS 41267-76-9
2,3,6,7-Tetrahydro-9-methyl-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-one
CAS 41267-76-9C16H17NO2
Coumarin 343 chemical structure, C16H15NO4, CAS 55804-65-4
Coumarin 343
CAS 55804-65-4C16H15NO4
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester chemical structure, C20H23NO4, CAS 62669-75-4
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester
CAS 62669-75-4C20H23NO4
2,3,6,7-Tetrahydro-9-methyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxaldehyde chemical structure, C17H17NO3, CAS 142730-53-8
2,3,6,7-Tetrahydro-9-methyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxaldehyde
CAS 142730-53-8C17H17NO3
10-Oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde chemical structure, C16H15NO3, CAS 142730-52-7
10-Oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracene-9-carbaldehyde
CAS 142730-52-7C16H15NO3
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-bromo-2,3,6,7-tetrahydro-9-methyl- chemical structure, C16H16BrNO2, CAS 127321-52-2
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-bromo-2,3,6,7-tetrahydro-9-methyl-
CAS 127321-52-2C16H16BrNO2
Methyl 11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate chemical structure, C17H17NO4, CAS 107408-81-1
Methyl 11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
CAS 107408-81-1C17H17NO4
Coumarin 480 D dye content 99 chemical structure, C18H21NO2, CAS 171615-15-9
Coumarin 480 D dye content 99
CAS 171615-15-9C18H21NO2
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 9-chloro-2,3,6,7-tetrahydro-(9CI) chemical structure, C15H14ClNO2, CAS 131447-42-2
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 9-chloro-2,3,6,7-tetrahydro-(9CI)
CAS 131447-42-2C15H14ClNO2
Coumarin 314T chemical structure, C22H27NO4, CAS 113869-06-0
Coumarin 314T
CAS 113869-06-0C22H27NO4
9-(Perfluoroethyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one chemical structure, C17H14F5NO2, CAS 374098-04-1
9-(Perfluoroethyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
CAS 374098-04-1C17H14F5NO2
9-(3-Hydroxypropyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one chemical structure, C18H21NO3, CAS 203115-66-6
9-(3-Hydroxypropyl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
CAS 203115-66-6C18H21NO3
9-(Nonafluorobutyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one chemical structure, C19H14F9NO2, CAS 355822-08-1
9-(Nonafluorobutyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
CAS 355822-08-1C19H14F9NO2
9-Acetyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one chemical structure, C17H17NO3, CAS 122501-96-6
9-Acetyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
CAS 122501-96-6C17H17NO3
10-(Hydroxymethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one chemical structure, C16H17NO3, CAS 1416270-97-7
10-(Hydroxymethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
CAS 1416270-97-7C16H17NO3
2,3,6,7-Tetrahydro-1,1,7,7-tetramethyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile chemical structure, C20H22N2O2, CAS 115662-11-8
2,3,6,7-Tetrahydro-1,1,7,7-tetramethyl-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile
CAS 115662-11-8C20H22N2O2
2,3,6,7-Tetrahydro-1,1,7,7-tetramethyl-9-(trifluoromethyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one chemical structure, C20H22F3NO2, CAS 113869-07-1
2,3,6,7-Tetrahydro-1,1,7,7-tetramethyl-9-(trifluoromethyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
CAS 113869-07-1C20H22F3NO2
1,1,6,6,8-Pentamethyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one chemical structure, C20H25NO2, CAS 113869-04-8
1,1,6,6,8-Pentamethyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one
CAS 113869-04-8C20H25NO2
Coumarin 521T chemical structure, C21H25NO3, CAS 114768-72-8
Coumarin 521T
CAS 114768-72-8C21H25NO3