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Murcko scaffold

Ring system with 3 rings and 14 atoms

109 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
109
With full pages
19
Scaffold SMILES

c1ccc2c(c1)CCN1CCCCC21

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 c1ccc2c(c1)CCN1CCCCC21

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 48 of 109 chemicals

Benzquinamide chemical structure, C22H32N2O5, CAS 63-12-7
Benzquinamide
CAS 63-12-7C22H32N2O5
2H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy- chemical structure, C21H33NO3, CAS 303-75-3
2H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-
CAS 303-75-3C21H33NO3
2,3-Diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-ol chemical structure, C19H29NO3, CAS 1236-97-1
2,3-Diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-ol
CAS 1236-97-1C19H29NO3
Dihydrotetrabenazine chemical structure, C19H29NO3, CAS 3466-75-9
Dihydrotetrabenazine
CAS 3466-75-9C19H29NO3
Wy 27127 chemical structure, C17H27N3O4S2, CAS 95669-35-5
Wy 27127
CAS 95669-35-5C17H27N3O4S2
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)- chemical structure, C18H27NO3, CAS 84590-09-0
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
CAS 84590-09-0C18H27NO3
Ro 1-9564 chemical structure, C21H33NO3, CAS 58261-35-1
Ro 1-9564
CAS 58261-35-1C21H33NO3
Ro 4-1398 chemical structure, C24H40ClNO4, CAS 37819-46-8
Ro 4-1398
CAS 37819-46-8C24H40ClNO4
2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2,2-dimethylthio-3-(2-methylpropyl)-, hydrochloride chemical structure, C21H34ClNO2S2, CAS 15565-23-8
2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2,2-dimethylthio-3-(2-methylpropyl)-, hydrochloride
CAS 15565-23-8C21H34ClNO2S2
2H-Benzo(a)quinolizine-3-carboxamide, 1,3,4,6,7,11b-hexahydro-2,2-bis(methylthio)-N,N-diethyl-9,10-dimethoxy-, hydrochloride chemical structure, C22H35ClN2O3S2, CAS 18065-95-7
2H-Benzo(a)quinolizine-3-carboxamide, 1,3,4,6,7,11b-hexahydro-2,2-bis(methylthio)-N,N-diethyl-9,10-dimethoxy-, hydrochloride
CAS 18065-95-7C22H35ClN2O3S2
2H-Benzo(a)quinolizine-3-carboxamide, 1,3,4,6,7,11b-hexahydro-2,2-bis(ethylthio)-N,N-diethyl-9,10-dimethoxy-, hydrochloride chemical structure, C24H39ClN2O3S2, CAS 18065-97-9
2H-Benzo(a)quinolizine-3-carboxamide, 1,3,4,6,7,11b-hexahydro-2,2-bis(ethylthio)-N,N-diethyl-9,10-dimethoxy-, hydrochloride
CAS 18065-97-9C24H39ClN2O3S2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-9,10-dimethoxy-, dihydrochloride chemical structure, C15H24Cl2N2O2, CAS 39630-38-1
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-9,10-dimethoxy-, dihydrochloride
CAS 39630-38-1C15H24Cl2N2O2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-9,10-dimethoxy-3-alpha-methyl-, dihydrochloride chemical structure, C16H26Cl2N2O2, CAS 39630-39-2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-9,10-dimethoxy-3-alpha-methyl-, dihydrochloride
CAS 39630-39-2C16H26Cl2N2O2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride chemical structure, C19H32Cl2N2O2, CAS 39630-40-5
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-alpha-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride
CAS 39630-40-5C19H32Cl2N2O2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-, dihydrochloride chemical structure, C15H24Cl2N2O2, CAS 39630-41-6
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-, dihydrochloride
CAS 39630-41-6C15H24Cl2N2O2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-alpha-methyl-, dihydrochloride chemical structure, C16H26Cl2N2O2, CAS 39630-42-7
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-9,10-dimethoxy-alpha-methyl-, dihydrochloride
CAS 39630-42-7C16H26Cl2N2O2
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride chemical structure, C19H32Cl2N2O2, CAS 39630-43-8
11bH-Benzo(a)quinolizine, 1,2,3,4,6,7-hexahydro-2-beta-amino-3-alpha-isobutyl-9,10-dimethoxy-, dihydrochloride
CAS 39630-43-8C19H32Cl2N2O2
(3R,11bS)-9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxylic acid chemical structure, C15H19NO3, CAS 3839-71-2
(3R,11bS)-9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxylic acid
CAS 3839-71-2C15H19NO3
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester chemical structure, C17H23NO3, CAS 4490-25-9
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester
CAS 4490-25-9C17H23NO3
trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester chemical structure, C17H23NO3, CAS 3954-03-8
trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester
CAS 3954-03-8C17H23NO3
RefChem:367510 chemical structure, C20H30N2O4, CAS 53-68-9
RefChem:367510
CAS 53-68-9C20H30N2O4
2H-Benzo[a]quinolizin-2-ol, 2-ethyl-3-(2-ethylbutyl)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy- chemical structure, C23H37NO3, CAS 60762-53-0
2H-Benzo[a]quinolizin-2-ol, 2-ethyl-3-(2-ethylbutyl)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-
CAS 60762-53-0C23H37NO3
3-Ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol chemical structure, C17H25NO3, CAS 3466-76-0
3-Ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CAS 3466-76-0C17H25NO3
Ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate chemical structure, C21H31NO4, CAS 67504-53-4
Ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate
CAS 67504-53-4C21H31NO4