Murcko scaffold
Ring system with 3 rings and 13 atoms
18 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 13
- Chemicals
- 18
- With full pages
- 2
Scaffold SMILES
c1ccc2c(c1)CCC1NCCC21
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 18 of 18 chemicals
RefChem:192835
CAS 147145-16-2C16H22N2O
3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-8-methoxy-3-methyl-9b-propyl-, hydrochloride
CAS 32920-32-4C17H26ClNO
3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-3-methyl-, hydrochloride
CAS 32920-59-5C13H18ClN
3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-, hydrochloride
CAS 32920-60-8C12H16ClN
3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-3-methyl-9b-propyl-, hydrochloride
CAS 32920-66-4C16H24ClN
3H-Benz(e)indole, 1,2,3a,4,5,9b-hexahydro-9b-propyl-, hydrochloride
CAS 32920-67-5C15H22ClN
3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-3-methyl-
CAS 32940-44-6C13H17NO
1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-methyl-9b-propyl-, hydrobromide, cis-
CAS 40750-52-5C16H24BrNO
1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-9b-ethyl-3-methyl-, hydrobromide, cis-
CAS 54862-25-8C15H22BrNO
1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-methyl-9b-propyl-, hydrobromide, trans-
CAS 54862-29-2C16H24BrNO
1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-9b-butyl-3-methyl-, hydrobromide, cis-
CAS 54862-33-8C17H26BrNO
1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-9b-butyl-3-methyl-, hydrobromide, trans-
CAS 54862-34-9C17H26BrNO
1H-Benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3,9b-dimethyl-, hydrobromide, hemihydrate, cis-
CAS 56353-91-4C14H20BrNO
3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-5-methyl-9b-propyl-, hydrochloride
CAS 100447-46-9C16H24ClNO
8-OH-Pbzi
CAS 251327-33-0C15H21NO
![rel-(3aR,9bS)-2,3,3a,4,5,9b-Hexahydro-3-propyl-1H-benz[e]indol-8-ol chemical structure, C15H21NO, CAS 147678-60-2](/s/LJDRQPOQHHOXHM-DZGCQCFKSA-N.svg)
rel-(3aR,9bS)-2,3,3a,4,5,9b-Hexahydro-3-propyl-1H-benz[e]indol-8-ol
CAS 147678-60-2C15H21NO
![cis-8-Hydroxy-3-(n-propyl)-1,2,3a,4,5,9b-hexahydro-1H-benz[e]indole hydrobromide chemical structure, C15H22BrNO, CAS 251327-24-9](/s/UMGQLEXNQCHIFN-NQQJLSKUSA-N.svg)
cis-8-Hydroxy-3-(n-propyl)-1,2,3a,4,5,9b-hexahydro-1H-benz[e]indole hydrobromide
CAS 251327-24-9C15H22BrNO
3Pde8xtq4B
CAS 147657-08-7C15H22ClNO
Related scaffolds
Same ring framework with different atoms or bond orders
O=c1oc2ccccc2c2c1CCC239 chemicals
C1=CC2c3ccccc3NCC2C122 chemicals
c1ccc2c(c1)ccc1occc1217 chemicals![Scaffold c1ccc2c(c1)ncc1nc[nH]c12](/scaffold/ITIRVXDSMXFTPW-UHFFFAOYSA-N/structure.svg)
c1ccc2c(c1)ncc1nc[nH]c1216 chemicals![Scaffold c1ccc2c(c1)ccc1cc[nH]c12](/scaffold/HIYWOHBEPVGIQN-UHFFFAOYSA-N/structure.svg)
c1ccc2c(c1)ccc1cc[nH]c1213 chemicals
O=c1ccc2ccc3occc3c2o113 chemicals![Scaffold O=c1[nH]c2nncn2c2ccccc12](/scaffold/LTJCKJVQPRZVDG-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2nncn2c2ccccc1212 chemicals
c1ccc2c(c1)ccc1ccoc1210 chemicals![Scaffold O=c1[nH]c2n[nH]c(=S)n2c2ccccc12](/scaffold/FXVXSBUAKIHKJP-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2n[nH]c(=S)n2c2ccccc129 chemicals
c1ccc2c3c(cnc2c1)CCO39 chemicals
C1=Nc2ccc3ccccc3c2C19 chemicals
c1ccc2c(c1)ccn1cccc218 chemicals