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Murcko scaffold

Ring system with 4 rings and 18 atoms

36 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
36
With full pages
8
Scaffold SMILES

O=C1C=CC2C(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.

Substructure search with this scaffold
Murcko scaffold O=C1C=CC2C(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 36 of 36 chemicals

4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno(5,4-f)quinoline-7-carboxylic acid tert-butylamide chemical structure, C23H36N2O2, CAS 1212235-84-1
4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno(5,4-f)quinoline-7-carboxylic acid tert-butylamide
CAS 1212235-84-1C23H36N2O2
Finasteride chemical structure, C23H36N2O2, CAS 98319-26-7
Finasteride
CAS 98319-26-7C23H36N2O2
RefChem:151650 chemical structure, C21H31NO3, CAS 103335-44-0
RefChem:151650
CAS 103335-44-0C21H31NO3
Fce 28175 chemical structure, C24H33F3N2O3, CAS 156990-25-9
Fce 28175
CAS 156990-25-9C24H33F3N2O3
N,N-Diethyl-3-oxo-4-azaandrost-1-ene-17-carboxamide chemical structure, C23H36N2O2, CAS 92472-70-3
N,N-Diethyl-3-oxo-4-azaandrost-1-ene-17-carboxamide
CAS 92472-70-3C23H36N2O2
(5alpha)-23-Methyl-4-aza-21-norchol-1-ene-3,20-dione chemical structure, C23H35NO2, CAS 103497-68-3
(5alpha)-23-Methyl-4-aza-21-norchol-1-ene-3,20-dione
CAS 103497-68-3C23H35NO2
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-Cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide chemical structure, C23H33N3O2, CAS 149281-19-6
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-Cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CAS 149281-19-6C23H33N3O2
Dutasteride acid chemical structure, C19H27NO3, CAS 104239-97-6
Dutasteride acid
CAS 104239-97-6C19H27NO3
(1R,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-Butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide chemical structure, C23H36N2O2, CAS 140375-21-9
(1R,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-Butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CAS 140375-21-9C23H36N2O2
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-Butyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide chemical structure, C24H38N2O2, CAS 98319-25-6
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-Butyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CAS 98319-25-6C24H38N2O2
Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate chemical structure, C20H29NO3, CAS 103335-41-7
Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate
CAS 103335-41-7C20H29NO3
Finasteride impurity 16 chemical structure, C19H28N2O2, CAS 104214-61-1
Finasteride impurity 16
CAS 104214-61-1C19H28N2O2
Finasteride carboxaldehyde chemical structure, C23H34N2O3, CAS 154387-61-8
Finasteride carboxaldehyde
CAS 154387-61-8C23H34N2O3
Finasteride 2-(2-methylpropanol)amide chemical structure, C23H36N2O3, CAS 116285-36-0
Finasteride 2-(2-methylpropanol)amide
CAS 116285-36-0C23H36N2O3
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic Acid chemical structure, C20H29NO3, CAS 96692-02-3
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic Acid
CAS 96692-02-3C20H29NO3
Finasteride carboxylic acid methyl ester chemical structure, C24H36N2O4, CAS 116285-38-2
Finasteride carboxylic acid methyl ester
CAS 116285-38-2C24H36N2O4
Finasteride carboxylic acid chemical structure, C23H34N2O4, CAS 116285-37-1
Finasteride carboxylic acid
CAS 116285-37-1C23H34N2O4
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-7-(Hydroxymethyl)-4a,6a-dimethyl-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinolin-2(4aH)-one chemical structure, C19H29NO2, CAS 139230-03-8
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-7-(Hydroxymethyl)-4a,6a-dimethyl-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinolin-2(4aH)-one
CAS 139230-03-8C19H29NO2
Finasteride-d9 chemical structure, C23H36N2O2, CAS 1131342-85-2
Finasteride-d9
CAS 1131342-85-2C23H36N2O2
6alpha-Hydroxyfinasteride chemical structure, C23H36N2O3, CAS 154387-62-9
6alpha-Hydroxyfinasteride
CAS 154387-62-9C23H36N2O3
Fce 27837 chemical structure, C23H31F3N2O3, CAS 155651-61-9
Fce 27837
CAS 155651-61-9C23H31F3N2O3
MK-4541 chemical structure, C22H31F3N2O3, CAS 796885-38-6
MK-4541
CAS 796885-38-6C22H31F3N2O3
(4aR,4bS,6aS,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxylic acid chemical structure, C19H27NO3, CAS 1237486-68-8
(4aR,4bS,6aS,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxylic acid
CAS 1237486-68-8C19H27NO3
2-Fluoro-4-methyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylic acid chemical structure, C20H28FNO3, CAS 606101-79-5
2-Fluoro-4-methyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylic acid
CAS 606101-79-5C20H28FNO3