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Murcko scaffold

Ring system with 3 rings and 24 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
7
With full pages
2
Scaffold SMILES

O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCC1CCNC1=O

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(CNC(=O)c1cc2ccccc2[nH]1)NCCC1CCNC1=O

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 7 of 7 chemicals

PF-00835231 chemical structure, C24H32N4O6, CAS 870153-29-0
PF-00835231
CAS 870153-29-0C24H32N4O6
1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-chloro-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-(9CI) chemical structure, C24H31ClN4O5, CAS 870153-28-9
1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-chloro-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-(9CI)
CAS 870153-28-9C24H31ClN4O5
N-[(2S)-4-Methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide chemical structure, C22H28N4O4, CAS 890648-80-3
N-[(2S)-4-Methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CAS 890648-80-3C22H28N4O4
Lufotrelvir chemical structure, C24H33N4O9P, CAS 2468015-78-1
Lufotrelvir
CAS 2468015-78-1C24H33N4O9P
N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide chemical structure, C23H29N5O4, CAS 2713433-13-5
N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide
CAS 2713433-13-5C23H29N5O4
Olgotrelvir sodium chemical structure, C22H29N4NaO7S, CAS 2763596-72-9
Olgotrelvir sodium
CAS 2763596-72-9C22H29N4NaO7S
Olgotrelvir chemical structure, C22H30N4O7S, CAS 2763596-71-8
Olgotrelvir
CAS 2763596-71-8C22H30N4O7S