Murcko scaffold
Ring system with 3 rings and 21 atoms
23 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 21
- Chemicals
- 23
- With full pages
- 6
Scaffold SMILES
c1ccc(C(COc2ncccn2)c2ccccc2)cc1
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.
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 23 of 23 chemicals
Darusentan
CAS 171714-84-4C22H22N2O6
Ambrisentan, (A+-)-
CAS 713516-99-5C22H22N2O4
![3-Methoxy-2-[(4-methylpyrimidin-2-yl)oxy]-3-phenyl-3-[4-(trifluoromethyl)phenyl]propanoic acid chemical structure, C22H19F3N2O4, CAS 732253-06-4](/s/ULOQCXMGMFANAC-UHFFFAOYSA-N.svg)
3-Methoxy-2-[(4-methylpyrimidin-2-yl)oxy]-3-phenyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CAS 732253-06-4C22H19F3N2O4
Ambrisentan
CAS 177036-94-1C22H22N2O4
Ambrisentan, (R)-
CAS 1007358-76-0C22H22N2O4
2-(4,6-Dimethylpyrimidin-2-yloxy)-3,3-diphenylbutanoic acid
CAS 197971-88-3C22H22N2O3
Darusentan, (R)-
CAS 221176-51-8C22H22N2O6
(±)-Darusentan
CAS 178306-46-2C22H22N2O6
rac Ambrisentan Methyl Ester
CAS 1240470-84-1C23H24N2O4
rac 4-Hydroxymethyl Ambrisentan
CAS 1106685-84-0C22H22N2O5
rac O-Demethyl Ambrisentan
CAS 1106685-85-1C21H20N2O4
(S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-hydroxy-3,3-diphenylpropanoic acid
CAS 1106685-94-2C21H20N2O4
4-Hydroxymethyl ambrisentan
CAS 1106685-66-8C22H22N2O5
(S)-Methyl 2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoate
CAS 1106685-61-3C23H24N2O4
rac Ambrisentan-d3
CAS 1189479-60-4C22H22N2O4
Darusentan 13C6
CAS 1261365-22-3C22H22N2O6
![Darusentan-[13C,d3] chemical structure, C22H22N2O6, CAS 1261392-44-2](/s/FEJVSJIALLTFRP-HUCRMOQGSA-N.svg)
Darusentan-[13C,d3]
CAS 1261392-44-2C22H22N2O6
Ambrisentan sodium
CAS 1386915-48-5C22H21N2NaO4
(S)-Methyl 2-(4-formyl-6-methylpyrimidin-2-yloxy)-3-methoxy-3,3-diphenylpropanoate
CAS 1106685-62-4C23H22N2O5
![Methyl (2S)-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoate chemical structure, C23H24N2O6, CAS 177036-79-2](/s/ZOUSQAVMWIUVLN-HXUWFJFHSA-N.svg)
Methyl (2S)-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoate
CAS 177036-79-2C23H24N2O6
rac Ambrisentan-d3 Methyl Ester
CAS 1329837-75-3C23H24N2O4
Ambrisentan-d10
CAS 1046116-27-1C22H22N2O4
(s)-2-(4,6-Dimethylpyrimidin-2-yloxy)-3,3-diphenylbutanoic acid
CAS 318472-14-9C22H22N2O3
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(Nc1ccccc1)C(c1ccccc1)c1ccccc132 chemicals
O=C(NC(c1ccccc1)c1ccccc1)c1ccccc116 chemicals
c1ccc(C(CCN2CCCCC2)c2ccccc2)cc113 chemicals
O=C(OC1CCNCC1)C(c1ccccc1)c1ccccc113 chemicals
O=C(OC1CCCNC1)C(c1ccccc1)c1ccccc111 chemicals
c1ccc(CCC(c2ccccc2)c2ccccc2)cc17 chemicals
O=C(Nc1ccccc1)N(c1ccccc1)c1ccccc16 chemicals
c1ccc(C(CCN2CCOCC2)c2ccccc2)cc16 chemicals
O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc16 chemicals
O=S(=O)(N=C(c1ccccc1)N1CCOCC1)c1ccccc15 chemicals
c1ccc(NN=C(c2ccccc2)c2ccccc2)cc15 chemicals
O=C(C=C(c1ccccc1)c1ccccc1)N1CCOCC14 chemicals