Murcko scaffold
Ring system with 9 rings and 43 atoms
6 chemicals on CompoundList share this ring system.
- Rings
- 9
- Scaffold atoms
- 43
- Chemicals
- 6
- With full pages
- 1
Scaffold SMILES
c1ccc(C2Oc3cc(-c4cnc(C5CCCN5)[nH]4)ccc3-c3cc4cc(-c5cnc(C6CCCN6)[nH]5)ccc4n32)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.
![Murcko scaffold c1ccc(C2Oc3cc(-c4cnc(C5CCCN5)[nH]4)ccc3-c3cc4cc(-c5cnc(C6CCCN6)[nH]5)ccc4n32)cc1](/scaffold/CHIDGJPXDZNUSU-UHFFFAOYSA-N/structure.svg)
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
Elbasvir
CAS 1370468-36-2C49H55N9O7
![Trideuteriomethyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-3-methyl-2-(trideuteriomethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate chemical structure, C49H55N9O7, CAS 2101183-01-9](/s/BVAZQCUMNICBAQ-LQEVWKJJSA-N.svg)
Trideuteriomethyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-3-methyl-2-(trideuteriomethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CAS 2101183-01-9C49H55N9O7
![di-tert-Butyl 2,2'-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) 4-nitrobenzoate chemical structure, C59H59N9O13, CAS 1585969-26-1](/s/IIZHPYRZKNFJSX-XAMNAXDHSA-N.svg)
di-tert-Butyl 2,2'-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) 4-nitrobenzoate
CAS 1585969-26-1C59H59N9O13
RefChem:235223
CAS 1369595-05-0C45H49N7O5
![(S)-6-Phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride chemical structure, C35H35Cl2N7O, CAS 1585969-27-2](/s/XIEVQHFLPZHVSW-UUKHLAGGSA-N.svg)
(S)-6-Phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride
CAS 1585969-27-2C35H35Cl2N7O
![6H-Indolo[1,2-c][1,3]benzoxazine, 6-phenyl-3,10-bis[2-(2S)-2-pyrrolidinyl-1H-imidazol-5-yl]-, hydrochloride (1:4), (6S)- chemical structure, C35H37Cl4N7O, CAS 2101186-46-1](/s/VHLUBEYUCHIGEW-FJGIWLGDSA-N.svg)
6H-Indolo[1,2-c][1,3]benzoxazine, 6-phenyl-3,10-bis[2-(2S)-2-pyrrolidinyl-1H-imidazol-5-yl]-, hydrochloride (1:4), (6S)-
CAS 2101186-46-1C35H37Cl4N7O