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Murcko scaffold

Ring system with 5 rings and 22 atoms

7 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 22
Chemicals: 7
With full pages: 3

Scaffold SMILES

O=c1[nH]c(=O)c2ccc3c4ccccc4oc4ccc1c2c43

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]c(=O)c2ccc3c4ccccc4oc4ccc1c2c43

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 7 of 7 chemicals

1H-Xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulfonic acid, 9-methoxy-1,3-dioxo- chemical structure, C21H15NO7S, CAS 59373-54-5

1H-Xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulfonic acid, 9-methoxy-1,3-dioxo-

CAS 59373-54-5C₂₁H₁₅NO₇S

2-(2-Hydroxypropyl)-5-methoxy-1H-xantheno(2,1,9-def)isoquinoline-1,3(2H)-dione chemical structure, C22H17NO5, CAS 35254-10-5

2-(2-Hydroxypropyl)-5-methoxy-1H-xantheno(2,1,9-def)isoquinoline-1,3(2H)-dione

CAS 35254-10-5C₂₂H₁₇NO₅

1H-Xantheno(2,1,9-def)isoquinolinedisulfonic acid, 2,3-dihydro-2-(2-hydroxyethyl)-1,3-dioxo-, compd. with 2-aminoethanol (1:2) chemical structure, C24H27N3O12S2, CAS 72845-94-4

1H-Xantheno(2,1,9-def)isoquinolinedisulfonic acid, 2,3-dihydro-2-(2-hydroxyethyl)-1,3-dioxo-, compd. with 2-aminoethanol (1:2)

CAS 72845-94-4C₂₄H₂₇N₃O₁₂S₂

1H-Xantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-(2-hydroxypropyl)-9-methoxy- chemical structure, C22H17NO5, CAS 78108-20-0

1H-Xantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-(2-hydroxypropyl)-9-methoxy-

CAS 78108-20-0C₂₂H₁₇NO₅

2,3-Dihydro-2-(2-hydroxyethyl)-1,3-dioxo-1H-xantheno(2,1,9-def)isoquinoline-5,9-disulphonic acid, compound with 2-aminoethanol (1:2) chemical structure, C24H27N3O12S2, CAS 93964-31-9

2,3-Dihydro-2-(2-hydroxyethyl)-1,3-dioxo-1H-xantheno(2,1,9-def)isoquinoline-5,9-disulphonic acid, compound with 2-aminoethanol (1:2)

CAS 93964-31-9C₂₄H₂₇N₃O₁₂S₂

1H-Xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-amino-9-methoxy- chemical structure, C19H12N2O4, CAS 47428-52-4

1H-Xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-amino-9-methoxy-

CAS 47428-52-4C₁₉H₁₂N₂O₄

Sodium 9-methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate chemical structure, C21H14NNaO7S, CAS 59454-19-2

Sodium 9-methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate

CAS 59454-19-2C₂₁H₁₄NNaO₇S