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Murcko scaffold

Ring system with 5 rings and 25 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
25
Chemicals
5
With full pages
4
Scaffold SMILES

O=c1[nH]nc2c3c(cccc13)NC(c1ccccc1)C2c1ncn[nH]1

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 O=c1[nH]nc2c3c(cccc13)NC(c1ccccc1)C2c1ncn[nH]1

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

Talazoparib chemical structure, C19H14F2N6O, CAS 1207456-01-6
Talazoparib
CAS 1207456-01-6C19H14F2N6O
Talazoparib tosylate chemical structure, C26H22F2N6O4S, CAS 1373431-65-2
Talazoparib tosylate
CAS 1373431-65-2C26H22F2N6O4S
Bmn-673 8R,9S chemical structure, C19H14F2N6O, CAS 1207456-00-5
Bmn-673 8R,9S
CAS 1207456-00-5C19H14F2N6O
5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one chemical structure, C19H14F2N6O, CAS 1207454-56-5
5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CAS 1207454-56-5C19H14F2N6O
2-Amino-N-[[(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3-oxo-8,9-dihydro-3H-pyrido[4,3,2-de]phthalazin-2(7H)-yl]methyl]acetamide chemical structure, C22H20F2N8O2, CAS 3105042-89-2
2-Amino-N-[[(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3-oxo-8,9-dihydro-3H-pyrido[4,3,2-de]phthalazin-2(7H)-yl]methyl]acetamide
CAS 3105042-89-2C22H20F2N8O2