CompoundList
Murcko scaffold

Ring system with 4 rings and 18 atoms

15 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
15
With full pages
3
Scaffold SMILES

O=C1CCC2C(=CCC3C4CCCC4CCC23)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.

Murcko scaffold O=C1CCC2C(=CCC3C4CCCC4CCC23)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 15 of 15 chemicals

N,N-Diethyl-4-methoxy-3-oxo-4-aza-5-androstene-17-carboxamide chemical structure, C24H38N2O3, CAS 106649-71-2
N,N-Diethyl-4-methoxy-3-oxo-4-aza-5-androstene-17-carboxamide
CAS 106649-71-2C24H38N2O3
4,17alpha-Dimethyl-4-aza-5-androsten-17beta-ol-3-one chemical structure, C20H31NO2, CAS 14124-60-8
4,17alpha-Dimethyl-4-aza-5-androsten-17beta-ol-3-one
CAS 14124-60-8C20H31NO2
7-Acetyl-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one chemical structure, C21H31NO2, CAS 2102-23-0
7-Acetyl-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
CAS 2102-23-0C21H31NO2
1-(2-(Dimethylamino)ethyl)-7-hydroxy-4a,6a,7-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one chemical structure, C23H38N2O2, CAS 14124-61-9
1-(2-(Dimethylamino)ethyl)-7-hydroxy-4a,6a,7-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
CAS 14124-61-9C23H38N2O2
(1S,3aS,3bR,9aR,9bS,11aS)-1-Hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one chemical structure, C19H29NO2, CAS 92472-37-2
(1S,3aS,3bR,9aR,9bS,11aS)-1-Hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CAS 92472-37-2C19H29NO2
(4aR,4bS,6aS,7S,9aS,9bS)-7-Acetyl-1-(2-hydroxyethyl)-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one chemical structure, C22H33NO3, CAS 4379-76-4
(4aR,4bS,6aS,7S,9aS,9bS)-7-Acetyl-1-(2-hydroxyethyl)-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
CAS 4379-76-4C22H33NO3
Finasteride impurity chemical structure, C23H36N2O2, CAS 166896-74-8
Finasteride impurity
CAS 166896-74-8C23H36N2O2
3-Oxo-4-aza-5-androstene-17beta-carboxylic acid chemical structure, C19H27NO3, CAS 103335-54-2
3-Oxo-4-aza-5-androstene-17beta-carboxylic acid
CAS 103335-54-2C19H27NO3
(1R,3aS,3bR,9aR,9bS,11aS)-N-tert-Butyl-1-hydroxy-9a,11a-dimethyl-7-oxo-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1-carboxamide chemical structure, C23H36N2O3, CAS 206351-39-5
(1R,3aS,3bR,9aR,9bS,11aS)-N-tert-Butyl-1-hydroxy-9a,11a-dimethyl-7-oxo-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1-carboxamide
CAS 206351-39-5C23H36N2O3
2-[(1S,3aS,3bR,9aR,9bS,11aS)-1-Hydroxy-1,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-6-yl]ethyl-diethyl-methylazanium iodide chemical structure, C26H45IN2O2, CAS 15262-52-9
2-[(1S,3aS,3bR,9aR,9bS,11aS)-1-Hydroxy-1,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-6-yl]ethyl-diethyl-methylazanium iodide
CAS 15262-52-9C26H45IN2O2
2-[(4aR,4bS,6aR,7R,9aS,9bS)-4a,6a-Dimethyl-7-(6-methylheptan-2-yl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N,N,N-trimethylethan-1-aminium iodide chemical structure, C31H55IN2O, CAS 10236-65-4
2-[(4aR,4bS,6aR,7R,9aS,9bS)-4a,6a-Dimethyl-7-(6-methylheptan-2-yl)-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N,N,N-trimethylethan-1-aminium iodide
CAS 10236-65-4C31H55IN2O
4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17beta-hydroxy-17-methyl- chemical structure, C23H38N2O2
4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17beta-hydroxy-17-methyl-
C23H38N2O2
5,6-Dehydro-1,2-dihydro Finasteride Des-N-t-butylformamide Carboxylic Acid Methyl Ester chemical structure, C20H29NO3, CAS 104214-18-8
5,6-Dehydro-1,2-dihydro Finasteride Des-N-t-butylformamide Carboxylic Acid Methyl Ester
CAS 104214-18-8C20H29NO3
(4aR,4bS,6aS,7S,9aS,9bS)-7-Acetyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2H-indeno[5,4-f]quinolin-2-one chemical structure, C20H29NO2, CAS 20283-95-8
(4aR,4bS,6aS,7S,9aS,9bS)-7-Acetyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2H-indeno[5,4-f]quinolin-2-one
CAS 20283-95-8C20H29NO2
(4aR,4bS,6aS,7R,9aS,9bS)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-I+/-,1,4a,6a-tetramethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-acetic acid chemical structure, C22H33NO3, CAS 751440-51-4
(4aR,4bS,6aS,7R,9aS,9bS)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-I+/-,1,4a,6a-tetramethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-acetic acid
CAS 751440-51-4C22H33NO3