Murcko scaffold
Ring system with 6 rings and 34 atoms
9 chemicals on CompoundList share this ring system.
- Rings
- 6
- Scaffold atoms
- 34
- Chemicals
- 9
- With full pages
- 2
Scaffold SMILES
O=C(NC1CC(c2ccccc2)CNC1=O)c1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21
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 9 of 9 chemicals
Ubrogepant
CAS 1374248-77-7C29H26F3N5O3
US9833448, Example 5
CAS 1374248-83-5C29H23F6N5O3
Atogepant
CAS 1374248-81-3C29H23F6N5O3
Ubrogepant monohydrate
CAS 1488327-13-4C29H28F3N5O4
Atogepant monohydrate
CAS 1488325-98-9C29H25F6N5O4
Ubrogepant trihydrate
CAS 1488325-95-6C29H32F3N5O6
Atogepant impurity 45
CAS 2733814-47-4C29H23F6N5O3
(3R,5R,6S)-Atogepant
CAS 3014963-90-4C29H23F6N5O3
ZH4TZ7Jjj4
CAS 3049718-43-3C29H23F6N5O3