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Murcko scaffold

Ring system with 5 rings and 23 atoms

14 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
23
Chemicals
14
With full pages
4
Scaffold SMILES

C1=C2CCC(=N2)C=C2CCC(N2)C2CCC(=N2)C=C2CCC1=N2

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=C2CCC(=N2)C=C2CCC(N2)C2CCC(=N2)C=C2CCC1=N2

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 14 of 14 chemicals

2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, 3-[2,7-bis(2-amino-2-oxoethyl)-3,13,17-tris(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid, cobalt(3+) chemical structure, C55H73CoN11O15+, CAS 6917-85-7
2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, 3-[2,7-bis(2-amino-2-oxoethyl)-3,13,17-tris(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid, cobalt(3+)
CAS 6917-85-7C55H73CoN11O15+
2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, cobalt(2+), 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, hydrate chemical structure, C58H86CoN16O12, CAS 58409-62-4
2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, cobalt(2+), 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, hydrate
CAS 58409-62-4C58H86CoN16O12
Cobyrinic acid-abcdeg-hexamide chemical structure, C45H65CoN10O8+2, CAS 14708-92-0
Cobyrinic acid-abcdeg-hexamide
CAS 14708-92-0C45H65CoN10O8+2
Cobyrinic acid-f-nitrile, Co,Co-bis(cyano-kappaC)-, hexamethyl ester chemical structure, C53H70CoN7O12, CAS 56456-66-7
Cobyrinic acid-f-nitrile, Co,Co-bis(cyano-kappaC)-, hexamethyl ester
CAS 56456-66-7C53H70CoN7O12
Vitamin B12 factor B chemical structure, C49H75CoN12O10, CAS 13963-62-7
Vitamin B12 factor B
CAS 13963-62-7C49H75CoN12O10
Cobyrinic acid chemical structure, C45H59CoN4O14+2, CAS 33593-50-9
Cobyrinic acid
CAS 33593-50-9C45H59CoN4O14+2
Cobinamide dicyanide chemical structure, C50H72CoN13O8-3, CAS 27792-36-5
Cobinamide dicyanide
CAS 27792-36-5C50H72CoN13O8-3
Cobinamide chemical structure, C48H72CoN11O8+2, CAS 13497-85-3
Cobinamide
CAS 13497-85-3C48H72CoN11O8+2
Dicyanocobyrinic acid heptamethyl ester chemical structure, C54H73CoN6O14, CAS 36522-80-2
Dicyanocobyrinic acid heptamethyl ester
CAS 36522-80-2C54H73CoN6O14
Cobalt(3+), propyl 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-1,2,5,7,12,12,15,17-octamethyl-2,7,18-tris(2-oxo-2-propoxyethyl)-3,13,17-tris(3-oxo-3-propoxypropyl)-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate, dicyanide chemical structure, C68H101CoN6O14, CAS 93441-85-1
Cobalt(3+), propyl 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-1,2,5,7,12,12,15,17-octamethyl-2,7,18-tris(2-oxo-2-propoxyethyl)-3,13,17-tris(3-oxo-3-propoxypropyl)-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate, dicyanide
CAS 93441-85-1C68H101CoN6O14
2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, cobalt(2+), 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, hydrate chemical structure, C58H86CoN16O12
2-(6-Aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, cobalt(2+), 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, hydrate
C58H86CoN16O12
Dicyanocobinamide chemical structure, C50H72CoN13O8-3
Dicyanocobinamide
C50H72CoN13O8-3
Cob(I)inamide chemical structure, C48H72CoN11O8-
Cob(I)inamide
C48H72CoN11O8-
Cobyrinic acid-abcdeg-hexamide chemical structure, C45H65CoN10O8+2
Cobyrinic acid-abcdeg-hexamide
C45H65CoN10O8+2