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Murcko scaffold

Ring system with 7 rings and 21 atoms

12 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
21
Chemicals
12
With full pages
0
Scaffold SMILES

c1ccc2c3c([nH]c2c1)C1CC2C4COCC2C(C3)N1C4

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 c1ccc2c3c([nH]c2c1)C1CC2C4COCC2C(C3)N1C4

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

Verticillatine chemical structure, C20H25N2O3+, CAS 98243-58-4
Verticillatine
CAS 98243-58-4C20H25N2O3+
Alstoyunine A chemical structure, C20H24N2O3, CAS 1188932-11-7
Alstoyunine A
CAS 1188932-11-7C20H24N2O3
Alstoyunine B chemical structure, C20H24N2O3, CAS 1188932-12-8
Alstoyunine B
CAS 1188932-12-8C20H24N2O3
Npc318889 chemical structure, C19H22N2O2, CAS 15527-80-7
Npc318889
CAS 15527-80-7C19H22N2O2
Rauvovertine A chemical structure, C19H22N2O3
Rauvovertine A
C19H22N2O3
(2S,13S,15S,19R,20R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol chemical structure, C19H22N2O3
(2S,13S,15S,19R,20R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol
C19H22N2O3
Rauvovertine B chemical structure, C19H22N2O3
Rauvovertine B
C19H22N2O3
Rauvovertine B chemical structure, C19H22N2O3, CAS 2055073-72-6
Rauvovertine B
CAS 2055073-72-6C19H22N2O3
(2S,13S,15S,16R,17R,20S,21S)-21-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5(10),6,8-tetraene-7,17-diol chemical structure, C19H22N2O3
(2S,13S,15S,16R,17R,20S,21S)-21-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5(10),6,8-tetraene-7,17-diol
C19H22N2O3
(2S,13S,15S,16R,17R,19R,20R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol chemical structure, C19H22N2O3, CAS 2055073-75-9
(2S,13S,15S,16R,17R,19R,20R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol
CAS 2055073-75-9C19H22N2O3
(2S,13S,15S,17R,19R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol chemical structure, C19H22N2O3
(2S,13S,15S,17R,19R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol
C19H22N2O3
(2R,13S,15S,16R,17R,19R,20R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol chemical structure, C19H22N2O3
(2R,13S,15S,16R,17R,19R,20R,21R)-19-Methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraene-17,21-diol
C19H22N2O3