Murcko scaffold
Ring system with 5 rings and 22 atoms
13 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 22
- Chemicals
- 13
- With full pages
- 5
Scaffold SMILES
O=C1C2Cc3c([nH]c4ccccc34)CN2C(=O)C2CCCN12
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 O=C1C2Cc3c([nH]c4ccccc34)CN2C(=O)C2CCCN12](/scaffold/VEGFHFBTDMZMIF-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 13 of 13 chemicals
Verruculogen TR 2
CAS 51177-07-2C22H27N3O6
Fumitremorgin B
CAS 12626-17-4C27H33N3O5
![(1S,12R,15S)-12-(2-Hydroxy-2-methylpropyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione chemical structure, C21H25N3O3, CAS 106292-67-5](/s/RFFYLCRCNILFBP-YESZJQIVSA-N.svg)
(1S,12R,15S)-12-(2-Hydroxy-2-methylpropyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
CAS 106292-67-5C21H25N3O3
Demethoxy-3-epifumitremorgin C
CAS 106292-68-6C21H23N3O2
RefChem:305098
CAS 106292-69-7C21H23N3O2
Fumitremorgin C
CAS 118974-02-0C22H25N3O3
12,13-Dihydroxyfumitremorgin C
CAS 111427-99-7C22H25N3O5
Demethoxyfumitremorgin C
CAS 111768-16-2C21H23N3O2
12beta-hydroxyverruculogen TR-2
CAS 1367348-10-4C22H27N3O6
Demethoxy-12-epifumitremorgin C
CAS 106211-91-0C21H23N3O2
(±)-12-Deoxy-12-epifumitremorgin B
CAS 107977-02-6C27H33N3O4
Asperfumigatin
CAS 1815630-93-3C26H31N3O7
Orb3237545
CAS 1449230-01-6C32H41N3O5