Murcko scaffold
Ring system with 5 rings and 33 atoms
6 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 33
- Chemicals
- 6
- With full pages
- 3
Scaffold SMILES
O=C1CCN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCNCC4)cc3)ncc2N1
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 6 of 6 chemicals
Ro3280
CAS 1062243-51-9C27H35F2N7O3
![4-[(9-Cyclopentyl-6-oxo-5-propan-2-yl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide chemical structure, C29H41N7O3, CAS 1001343-54-9](/s/VIJIVCXRKDRGGA-UHFFFAOYSA-N.svg)
4-[(9-Cyclopentyl-6-oxo-5-propan-2-yl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
CAS 1001343-54-9C29H41N7O3
![4-[(9-Cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide chemical structure, C28H39N7O3, CAS 1001343-34-5](/s/KZLQLABUFJNPSZ-UHFFFAOYSA-N.svg)
4-[(9-Cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
CAS 1001343-34-5C28H39N7O3
Tak-960
CAS 1137868-52-0C27H34F3N7O3
TAK-960 hydrochloride
CAS 1137868-96-2C27H35ClF3N7O3
TAK-960 (dihydrochloride)
CAS 2320307-83-1C27H36Cl2F3N7O3