Murcko scaffold
Ring system with 4 rings and 20 atoms
12 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 20
- Chemicals
- 12
- With full pages
- 2
Scaffold SMILES
O=C1c2c([nH]c3ccccc23)CCN1Cc1c[nH]cn1
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=C1c2c([nH]c3ccccc23)CCN1Cc1c[nH]cn1](/scaffold/LQQZMNIWUOLUCJ-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 12 of 12 chemicals
Alosetron
CAS 122852-42-0C17H18N4O
Alosetron hydrochloride
CAS 122852-69-1C17H19ClN4O
Lurosetron
CAS 128486-54-4C17H17FN4O
Lurosetron mesylate
CAS 143486-90-2C18H21FN4O4S
1H-Pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-, (2Z)-2-butenedioate (1:1)
CAS 122852-43-1C21H22N4O5
N-Desmethyl alosetron
CAS 122852-63-5C16H16N4O
1H-Pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-6-hydroxy-5-methyl-2-((4-methyl-1H-imidazol-5-yl)methyl)-
CAS 128486-89-5C17H18N4O2
Alosetron-d3
CAS 1190043-13-0C17H18N4O
Alosetron-d3 hydrochloride
CAS 1189919-71-8C17H19ClN4O
7-Hydroxy alosetron
CAS 863485-44-3C17H18N4O2
Hydroxymethyl alosetron
CAS 863485-46-5C17H18N4O2
Alosetron metabolite M6
CAS 863485-47-6C17H18N4O5S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C1c2c([nH]c3ccccc23)CCC1Cn1ccnc1](/scaffold/KLUNAVKHVFZQKF-UHFFFAOYSA-N/structure.svg)
![Scaffold O=C1C(Cc2c[nH]cn2)CCc2cc3ccccc3n21](/scaffold/HZXPXEPELNJJEO-UHFFFAOYSA-N/structure.svg)