Murcko scaffold
Ring system with 3 rings and 17 atoms
16 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 17
- Chemicals
- 16
- With full pages
- 3
Scaffold SMILES
c1csc(C(=C2CCCNC2)c2cccs2)c1
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 16 of 16 chemicals
Timepidium
CAS 97094-64-9C17H22NOS2+
Tipepidine
CAS 5169-78-8C15H17NS2
Timepidium bromide
CAS 35035-05-3C17H22BrNOS2
Tipepidine citrate
CAS 14698-07-8C21H25NO7S2
Piperidine, 3-(di-2-thienylmethylene)-5-methoxy-1-methyl-
CAS 35012-52-3C16H19NOS2
Piperidinium, 1,1-dimethyl-3-(di-2-thienylmethylene)-5-hydroxy-, bromide
CAS 38795-19-6C16H20BrNOS2
Benzoic acid, 2-(4-hydroxybenzoyl)-, compd. with 3-(di-2-thienylmethylene)-1-methylpiperidine (1:1)
CAS 31139-87-4C29H27NO4S2
Timepidium bromide hydrate
CAS 116383-38-1C17H24BrNO2S2
Timepidium chloride
CAS 100595-66-2C17H22ClNOS2
Timepidium, (R)-
CAS 340027-73-8C17H22NOS2+
Timepidium, (S)-
CAS 340027-74-9C17H22NOS2+
Timepidium bromide, (S)-
CAS 166582-18-9C17H22BrNOS2
Timepidium bromide, (R)-
CAS 166582-17-8C17H22BrNOS2
Tipepidine citrate monohydrate
CAS 5169-77-7C21H27NO8S2
3-(Dithiophen-2-ylmethylidene)-1,1-dimethylpiperidin-1-ium iodide
CAS 36944-86-2C16H20INS2
Tipepidine hydrochloride
CAS 1449686-84-3C15H18ClNS2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1](/scaffold/ODOQKWUKLACHRO-UHFFFAOYSA-N/structure.svg)
![Scaffold O=c1[nH][nH]cc1C(c1ccccc1)c1c[nH][nH]c1=O](/scaffold/NZTGHUMPWHJSDR-UHFFFAOYSA-N/structure.svg)