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Murcko scaffold

Ring system with 5 rings and 28 atoms

9 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
9
With full pages
3
Scaffold SMILES

O=c1c2ccccc2nc(CNc2ncnc3nc[nH]c23)n1-c1ccccc1

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=c1c2ccccc2nc(CNc2ncnc3nc[nH]c23)n1-c1ccccc1

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 9 of 9 chemicals

CAL-130 Racemate chemical structure, C23H22N8O, CAS 474012-90-3
CAL-130 Racemate
CAS 474012-90-3C23H22N8O
Acalisib chemical structure, C21H16FN7O, CAS 870281-34-8
Acalisib
CAS 870281-34-8C21H16FN7O
Idelalisib chemical structure, C22H18FN7O, CAS 870281-82-6
Idelalisib
CAS 870281-82-6C22H18FN7O
2-[(1S)-1-[(2-Amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one chemical structure, C23H22N8O, CAS 1431697-74-3
2-[(1S)-1-[(2-Amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CAS 1431697-74-3C23H22N8O
CAL-130 (Hydrochloride) chemical structure, C23H23ClN8O, CAS 1431697-78-7
CAL-130 (Hydrochloride)
CAS 1431697-78-7C23H23ClN8O
(S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one xhydrochloride chemical structure, C22H19ClFN7O, CAS 1453810-72-4
(S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one xhydrochloride
CAS 1453810-72-4C22H19ClFN7O
Idelalisib D5 chemical structure, C22H18FN7O, CAS 1830330-31-8
Idelalisib D5
CAS 1830330-31-8C22H18FN7O
(S)-2-(1-(9H-Purin-6-ylamino)ethyl)-5-fluoro-3-phenylquinazolin-4(3H)-one chemical structure, C21H16FN7O, CAS 870281-17-7
(S)-2-(1-(9H-Purin-6-ylamino)ethyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
CAS 870281-17-7C21H16FN7O
Desfluoro idelalisib chemical structure, C22H19N7O, CAS 870281-74-6
Desfluoro idelalisib
CAS 870281-74-6C22H19N7O