Murcko scaffold
Ring system with 4 rings and 45 atoms
15 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 45
- Chemicals
- 15
- With full pages
- 1
Scaffold SMILES
O=C(CCCO[PH](=O)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1)NCCC(=O)NCCSC(=O)Cc1ccccc1
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.
O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1)NCCC(=O)NCCSC(=O)Cc1ccccc1](/scaffold/HTKOWTYNDJXYMR-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 15 of 15 chemicals
Phenylacetyl-coa
CAS 7532-39-0C29H42N7O17P3S
Tropoyl-coenzyme A
CAS 74717-87-6C30H44N7O18P3S
2-Tolylacetyl-coenzyme A
CAS 124924-91-0C30H44N7O17P3S
![4-Hydroxyphenylacetyl-CoA, (Acyl-CoA), [M+H]+ chemical structure, C29H42N7O18P3S, CAS 117411-05-9](/s/GPCAQTOAAYEBGJ-FFJUWABQSA-N.svg)
4-Hydroxyphenylacetyl-CoA, (Acyl-CoA), [M+H]+
CAS 117411-05-9C29H42N7O18P3S
Ibuprofenyl-coenzyme A
CAS 135027-64-4C34H52N7O17P3S
3-Tolylacetyl-coenzyme A
CAS 124900-43-2C30H44N7O17P3S
4-Tolylacetyl-coenzyme A
CAS 124924-92-1C30H44N7O17P3S
Phenyl acetyl Coa
CAS 108321-26-2C29H42LiN7O17P3S
(R)-Ibuprofenyl-CoA
CAS 105567-78-0C34H52N7O17P3S
Orb3145008
CAS 134933-17-8C34H52N7O17P3S
3,5-Dihydroxyphenylacetyl-CoA
CAS 404576-13-2C29H42N7O19P3S
Orb3144687
CAS 167277-98-7C29H42N7O18P3S
Phenylacetyl Coenzyme A, Lithium salt
C29H39Li3N7O17P3S
Phenylacetyl Coenzyme A, Lithium salt
C29H39LiN7O17P3S-2
Orb3144885
CAS 1378284-23-1C30H42N7O19P3S