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Murcko scaffold

Ring system with 5 rings and 37 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
37
Chemicals
6
With full pages
1
Scaffold SMILES

O=C(Nc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccn2)CCCCC1

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=C(Nc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccn2)CCCCC1

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 6 of 6 chemicals

PD 165929 chemical structure, C37H47N5O2, CAS 185215-75-2
PD 165929
CAS 185215-75-2C37H47N5O2
PD 176252 chemical structure, C32H36N6O5, CAS 204067-01-6
PD 176252
CAS 204067-01-6C32H36N6O5
PD 168368 chemical structure, C31H34N6O4, CAS 204066-82-0
PD 168368
CAS 204066-82-0C31H34N6O4
(S)-3-(1H-Indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-2-[3-(4-trifluoromethyl-phenyl)-ureido]-propionamide chemical structure, C32H34F3N5O2, CAS 204066-83-1
(S)-3-(1H-Indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-2-[3-(4-trifluoromethyl-phenyl)-ureido]-propionamide
CAS 204066-83-1C32H34F3N5O2
(2S)-N-[[1-[5-(2-Fluoroethoxy)-2-pyridinyl]cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide chemical structure, C33H37FN6O5, CAS 2077238-49-2
(2S)-N-[[1-[5-(2-Fluoroethoxy)-2-pyridinyl]cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
CAS 2077238-49-2C33H37FN6O5
(2S)-2-[(4-Cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)-N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]-2-methylpropanamide chemical structure, C33H36N6O3, CAS 204067-06-1
(2S)-2-[(4-Cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)-N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]-2-methylpropanamide
CAS 204067-06-1C33H36N6O3