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Murcko scaffold

Ring system with 6 rings and 22 atoms

16 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
22
Chemicals
16
With full pages
3
Scaffold SMILES

C=C1CNC2CC3(C(=O)Nc4ccccc43)C3CC1C2CO3

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 C=C1CNC2CC3(C(=O)Nc4ccccc43)C3CC1C2CO3

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

11-Hydroxyrankinidine chemical structure, C20H24N2O4
11-Hydroxyrankinidine
C20H24N2O4
7-Ethylidene-6'-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one chemical structure, C21H26N2O4
7-Ethylidene-6'-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
C21H26N2O4
N-Desmethoxyrankinidine chemical structure, C19H22N2O2, CAS 122590-02-7
N-Desmethoxyrankinidine
CAS 122590-02-7C19H22N2O2
N-Methyl-11-hydroxyrankinidine chemical structure, C21H26N2O4, CAS 122590-04-9
N-Methyl-11-hydroxyrankinidine
CAS 122590-04-9C21H26N2O4
Npc71145 chemical structure, C20H24N2O4, CAS 122590-03-8
Npc71145
CAS 122590-03-8C20H24N2O4
Humantenirine chemical structure, C21H26N2O4, CAS 82375-30-2
Humantenirine
CAS 82375-30-2C21H26N2O4
11-Methoxyhumantenine chemical structure, C22H28N2O4, CAS 93914-74-0
11-Methoxyhumantenine
CAS 93914-74-0C22H28N2O4
Humantenine chemical structure, C21H26N2O3, CAS 82375-29-9
Humantenine
CAS 82375-29-9C21H26N2O3
Rankinidine chemical structure, C20H24N2O3, CAS 106466-66-4
Rankinidine
CAS 106466-66-4C20H24N2O3
11-Hydroxyhumantenine chemical structure, C21H26N2O4
11-Hydroxyhumantenine
C21H26N2O4
(1S,2S,7Z,8R)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one chemical structure, C20H24N2O4
(1S,2S,7Z,8R)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
C20H24N2O4
(1R,2S,4S,7Z,8R,9S)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one chemical structure, C20H24N2O4
(1R,2S,4S,7Z,8R,9S)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
C20H24N2O4
11-Hydroxyhumantenine chemical structure, C21H26N2O4
11-Hydroxyhumantenine
C21H26N2O4
(1R,2S,4S,8R,9S)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one chemical structure, C20H24N2O4
(1R,2S,4S,8R,9S)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
C20H24N2O4
(1S,2S,8R)-7-Ethylidene-6'-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one chemical structure, C21H26N2O4
(1S,2S,8R)-7-Ethylidene-6'-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
C21H26N2O4
(1S,2S,8R)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one chemical structure, C20H24N2O4
(1S,2S,8R)-7-Ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
C20H24N2O4