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Murcko scaffold

Ring system with 5 rings and 22 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
12
With full pages
7
Scaffold SMILES

c1ccc2c(c1)CCc1cccc3c1C2CN1CCCCC31

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.

Substructure search with this scaffold
Murcko scaffold c1ccc2c(c1)CCc1cccc3c1C2CN1CCCCC31

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

3-tert-Butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol chemical structure, C25H31NO
3-tert-Butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
C25H31NO
(+)-Butaclamol chemical structure, C25H31NO, CAS 56245-67-1
(+)-Butaclamol
CAS 56245-67-1C25H31NO
Butaclamol hydrochloride chemical structure, C25H32ClNO, CAS 36504-94-6
Butaclamol hydrochloride
CAS 36504-94-6C25H32ClNO
Butaclamol chemical structure, C25H31NO, CAS 36504-93-5
Butaclamol
CAS 36504-93-5C25H31NO
Dexclamol hydrochloride chemical structure, C24H30ClNO, CAS 52389-27-2
Dexclamol hydrochloride
CAS 52389-27-2C24H30ClNO
Dexclamol chemical structure, C24H29NO, CAS 52340-25-7
Dexclamol
CAS 52340-25-7C24H29NO
(+)-2,3,4,4abeta,8,9,13balpha,14-Octahydro-3alpha-isopropyl-1H-benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isochinolin-3-ol chemical structure, C24H29NO, CAS 34071-19-7
(+)-2,3,4,4abeta,8,9,13balpha,14-Octahydro-3alpha-isopropyl-1H-benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isochinolin-3-ol
CAS 34071-19-7C24H29NO
(+)-Butaclamol hydrochloride chemical structure, C25H32ClNO, CAS 55528-07-9
(+)-Butaclamol hydrochloride
CAS 55528-07-9C25H32ClNO
(-)-Butaclamol chemical structure, C25H31NO, CAS 51152-91-1
(-)-Butaclamol
CAS 51152-91-1C25H31NO
(6S)-6-tert-Butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol chemical structure, C25H31NO
(6S)-6-tert-Butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol
C25H31NO
Taclamine hydrochloride chemical structure, C21H24ClN, CAS 34061-34-2
Taclamine hydrochloride
CAS 34061-34-2C21H24ClN
Taclamine chemical structure, C21H23N, CAS 34061-33-1
Taclamine
CAS 34061-33-1C21H23N