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Murcko scaffold

Ring system with 3 rings and 22 atoms

28 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
28
With full pages
3
Scaffold SMILES

O=C1NC(Cc2ccccc2)CCC(Cc2ccccc2)N1

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=C1NC(Cc2ccccc2)CCC(Cc2ccccc2)N1

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 28 of 28 chemicals

(4-R-(4-Alpha,6-beta,7-beta)-hexahydro-5,6-DI(hydroxy)-1,3-DI(allyl)-4,7-bisphenylmethyl)-2H-1,3-diazepinone chemical structure, C25H30N2O3, CAS 153223-14-4
(4-R-(4-Alpha,6-beta,7-beta)-hexahydro-5,6-DI(hydroxy)-1,3-DI(allyl)-4,7-bisphenylmethyl)-2H-1,3-diazepinone
CAS 153223-14-4C25H30N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-dimethyl-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C21H26N2O3, CAS 153181-38-5
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-dimethyl-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-38-5C21H26N2O3
2H-1,3-Diazepin-2-one, 1,3-diethylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C23H30N2O3, CAS 153181-43-2
2H-1,3-Diazepin-2-one, 1,3-diethylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-43-2C23H30N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-dipropyl-, (4R,5S,6S,7R)- chemical structure, C25H34N2O3, CAS 153181-37-4
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-dipropyl-, (4R,5S,6S,7R)-
CAS 153181-37-4C25H34N2O3
2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C27H38N2O3, CAS 153223-22-4
2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153223-22-4C27H38N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-dipentyl-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C29H42N2O3, CAS 153181-48-7
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-dipentyl-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-48-7C29H42N2O3
2H-1,3-Diazepin-2-one, 1,3-dihexylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C31H46N2O3, CAS 153181-39-6
2H-1,3-Diazepin-2-one, 1,3-dihexylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-39-6C31H46N2O3
2H-1,3-Diazepin-2-one, 1,3-diheptylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C33H50N2O3, CAS 153181-41-0
2H-1,3-Diazepin-2-one, 1,3-diheptylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-41-0C33H50N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C25H34N2O5, CAS 153182-60-6
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153182-60-6C25H34N2O5
2H-1,3-Diazepin-2-one, 1,3-bis(2-ethoxyethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C27H38N2O5, CAS 153182-63-9
2H-1,3-Diazepin-2-one, 1,3-bis(2-ethoxyethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153182-63-9C27H38N2O5
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-(2-methoxyethoxy)ethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C29H42N2O7, CAS 153223-19-9
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-(2-methoxyethoxy)ethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153223-19-9C29H42N2O7
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methylpropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C27H38N2O3, CAS 153181-50-1
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-methylpropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-50-1C27H38N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-methylbutyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C29H42N2O3, CAS 153181-45-4
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-methylbutyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-45-4C29H42N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(4-methylpentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C31H46N2O3, CAS 153181-49-8
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(4-methylpentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 153181-49-8C31H46N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C33H50N2O3, CAS 179893-98-2
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 179893-98-2C33H50N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C35H54N2O3, CAS 179893-99-3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 179893-99-3C35H54N2O3
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C25H34N2O5, CAS 192575-90-9
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 192575-90-9C25H34N2O5
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(4-hydroxybutyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C27H38N2O5, CAS 152928-74-0
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(4-hydroxybutyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 152928-74-0C27H38N2O5
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-hydroxyhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C31H46N2O5, CAS 152928-72-8
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-hydroxyhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 152928-72-8C31H46N2O5
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(7-hydroxyheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C33H50N2O5, CAS 152928-84-2
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(7-hydroxyheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 152928-84-2C33H50N2O5
2H-1,3-Diazepin-2-one, 1,3-bis(4-aminobutyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C27H40N4O3, CAS 192575-91-0
2H-1,3-Diazepin-2-one, 1,3-bis(4-aminobutyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 192575-91-0C27H40N4O3
2H-1,3-Dazepin-2-one, 1,3-bis(5-aminopentyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C29H44N4O3, CAS 167826-28-0
2H-1,3-Dazepin-2-one, 1,3-bis(5-aminopentyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 167826-28-0C29H44N4O3
1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- chemical structure, C31H42N2O7, CAS 152928-75-1
1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS 152928-75-1C31H42N2O7
1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)- chemical structure, C33H46N2O7, CAS 152928-76-2
1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)-
CAS 152928-76-2C33H46N2O7