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Murcko scaffold

Ring system with 3 rings and 17 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
5
With full pages
3
Scaffold SMILES

C1CC2CC(CCc3nn[nH]n3)CCC2CN1

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 C1CC2CC(CCc3nn[nH]n3)CCC2CN1

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 5 of 5 chemicals

Tezampanel chemical structure, C13H21N5O2, CAS 154652-83-2
Tezampanel
CAS 154652-83-2C13H21N5O2
LY 215490 chemical structure, C13H21N5O2, CAS 150010-68-7
LY 215490
CAS 150010-68-7C13H21N5O2
3-Isoquinolinecarboxylic acid, decahydro-6-(2-(2H-tetrazol-5-yl)ethyl)-, 2-ethylbutyl ester, (3S,4aR,6R,8aR)- chemical structure, C19H33N5O2, CAS 620113-98-6
3-Isoquinolinecarboxylic acid, decahydro-6-(2-(2H-tetrazol-5-yl)ethyl)-, 2-ethylbutyl ester, (3S,4aR,6R,8aR)-
CAS 620113-98-6C19H33N5O2
LY 326325 chemical structure, C13H21N5O2, CAS 177314-99-7
LY 326325
CAS 177314-99-7C13H21N5O2
3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, 2-ethylbutyl ester, monohydrate, (3S,4aR,6R,8aR)- chemical structure, C19H35N5O3, CAS 845789-58-4
3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, 2-ethylbutyl ester, monohydrate, (3S,4aR,6R,8aR)-
CAS 845789-58-4C19H35N5O3