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Murcko scaffold

C.I. Pigment Blue 60 scaffold

7 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
34
Chemicals
7
With full pages
3
Scaffold SMILES

O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12

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 scaffoldOpen the C.I. Pigment Blue 60 page
Murcko scaffold O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12

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

C.I. Pigment Blue 60 chemical structure, C28H14N2O4, CAS 81-77-6
C.I. Pigment Blue 60
CAS 81-77-6C28H14N2O4
Vat Blue 6 chemical structure, C28H12Cl2N2O4, CAS 130-20-1
Vat Blue 6
CAS 130-20-1C28H12Cl2N2O4
15,30-Dibromo-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone chemical structure, C28H12Br2N2O4, CAS 130-19-8
15,30-Dibromo-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone
CAS 130-19-8C28H12Br2N2O4
5,9,14,18-Anthrazinetetrone, 6,15-dihydro-8-hydroxy- chemical structure, C28H14N2O5, CAS 67905-10-6
5,9,14,18-Anthrazinetetrone, 6,15-dihydro-8-hydroxy-
CAS 67905-10-6C28H14N2O5
Chloro-6,15-dihydroanthrazine-5,9,14,18-tetrone chemical structure, C28H13ClN2O4, CAS 1324-27-2
Chloro-6,15-dihydroanthrazine-5,9,14,18-tetrone
CAS 1324-27-2C28H13ClN2O4
Anthrazinesulfonic acid, 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxo-, monosodium salt chemical structure, C28H13N2NaO7S, CAS 1324-29-4
Anthrazinesulfonic acid, 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxo-, monosodium salt
CAS 1324-29-4C28H13N2NaO7S
5,9,14,18-Anthrazinetetrone, 8,17-diamino-7,16-dichloro-6,15-dihydro- chemical structure, C28H14Cl2N4O4, CAS 81818-53-3
5,9,14,18-Anthrazinetetrone, 8,17-diamino-7,16-dichloro-6,15-dihydro-
CAS 81818-53-3C28H14Cl2N4O4