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Murcko scaffold

Ring system with 5 rings and 22 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
6
With full pages
4
Scaffold SMILES

C1=CC2c3ccccc3NC(c3ccc4c(c3)OCO4)C2C1

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 C1=CC2c3ccccc3NC(c3ccc4c(c3)OCO4)C2C1

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 6 of 6 chemicals

4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C19H16BrNO2, CAS 1005086-82-7
4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 1005086-82-7C19H16BrNO2
rel-1-((3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)ethanone chemical structure, C21H18BrNO3, CAS 881639-98-1
rel-1-((3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)ethanone
CAS 881639-98-1C21H18BrNO3
(3aS,4R,9bR)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C19H16BrNO2, CAS 1161002-05-6
(3aS,4R,9bR)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 1161002-05-6C19H16BrNO2
G 1 (gper agonist), (3aR,4S,9bS)- chemical structure, C21H18BrNO3, CAS 925419-55-2
G 1 (gper agonist), (3aR,4S,9bS)-
CAS 925419-55-2C21H18BrNO3
1-[(4R)-4-(6-Bromo-2H-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one chemical structure, C21H18BrNO3, CAS 925420-28-6
1-[(4R)-4-(6-Bromo-2H-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
CAS 925420-28-6C21H18BrNO3
(3aS,4R,9bR)-4-(6-Bromo-1,3-benzodioxol-5-yl)-8-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C22H22BrNO2, CAS 1392487-51-2
(3aS,4R,9bR)-4-(6-Bromo-1,3-benzodioxol-5-yl)-8-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 1392487-51-2C22H22BrNO2