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Murcko scaffold

Ring system with 5 rings and 20 atoms

15 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
20
Chemicals
15
With full pages
0
Scaffold SMILES

C=C1CN2CCC1CC2Cc1ccnc2ccccc12

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 C=C1CN2CCC1CC2Cc1ccnc2ccccc12

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 15 of 15 chemicals

6-Quinuclidinemethanol, 3-ethylidene-alpha-(6-(2-hydroxyethoxy)-4-quinolyl)- chemical structure, C21H26N2O3, CAS 73924-72-8
6-Quinuclidinemethanol, 3-ethylidene-alpha-(6-(2-hydroxyethoxy)-4-quinolyl)-
CAS 73924-72-8C21H26N2O3
Apoquinine, dihydrochloride chemical structure, C19H24Cl2N2O2, CAS 64046-94-2
Apoquinine, dihydrochloride
CAS 64046-94-2C19H24Cl2N2O2
Apoquinine, ethyl-, dihydrochloride chemical structure, C21H28Cl2N2O2, CAS 64046-95-3
Apoquinine, ethyl-, dihydrochloride
CAS 64046-95-3C21H28Cl2N2O2
9-Acetyl apoquinidine methyl ether chemical structure, C22H26N2O3
9-Acetyl apoquinidine methyl ether
C22H26N2O3
Isoquinine chemical structure, C20H24N2O2, CAS 16934-07-9
Isoquinine
CAS 16934-07-9C20H24N2O2
4-[(R)-[(2S,4S,5E)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol chemical structure, C19H22N2O2, CAS 6787-39-9
4-[(R)-[(2S,4S,5E)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
CAS 6787-39-9C19H22N2O2
(R)-[(2S,4S,5E)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chemical structure, C20H24N2O2, CAS 16934-08-0
(R)-[(2S,4S,5E)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CAS 16934-08-0C20H24N2O2
Apoquinine chemical structure, C19H22N2O2, CAS 5985-94-4
Apoquinine
CAS 5985-94-4C19H22N2O2
Cinchonan-9-ol, 3,10-didehydro-10,11-dihydro-6'-methoxy-, acetate (ester), (9S)-(9CI) chemical structure, C22H26N2O3, CAS 139239-49-9
Cinchonan-9-ol, 3,10-didehydro-10,11-dihydro-6'-methoxy-, acetate (ester), (9S)-(9CI)
CAS 139239-49-9C22H26N2O3
(R)-[(2S,5Z)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chemical structure, C20H24N2O2
(R)-[(2S,5Z)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
C20H24N2O2
[(S)-[(2R,4S)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate chemical structure, C22H26N2O3
[(S)-[(2R,4S)-5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate
C22H26N2O3
(5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol chemical structure, C20H24N2O2
(5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
C20H24N2O2
[(5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] acetate chemical structure, C22H26N2O3
[(5-Ethylidene-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] acetate
C22H26N2O3
(8a,9R)-3,10-Didehydro-10,11-dihydro-6'-methoxycinchonan-9-ol chemical structure, C20H24N2O2
(8a,9R)-3,10-Didehydro-10,11-dihydro-6'-methoxycinchonan-9-ol
C20H24N2O2
Apoquinidine chemical structure, C19H22N2O2, CAS 6846-29-3
Apoquinidine
CAS 6846-29-3C19H22N2O2