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Murcko scaffold

Ring system with 5 rings and 23 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
23
Chemicals
7
With full pages
5
Scaffold SMILES

C1=C2CCC(=N2)C=C2CCC(=CC3=NC(CC3)C3CCC1=N3)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(=CC3=NC(CC3)C3CCC1=N3)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 7 of 7 chemicals

3-[(5Z,9Z,14Z)-3,13,17-Tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid chemical structure, C45H60N4O14, CAS 23599-55-5
3-[(5Z,9Z,14Z)-3,13,17-Tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid
CAS 23599-55-5C45H60N4O14
Corrin chemical structure, C19H22N4, CAS 262-76-0
Corrin
CAS 262-76-0C19H22N4
Hydrogenobyrinic acid-a,c-diamide chemical structure, C45H62N6O12, CAS 73367-51-8
Hydrogenobyrinic acid-a,c-diamide
CAS 73367-51-8C45H62N6O12
Cobalt(2+), 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,14Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2S)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,23-hexahydrocorrin-8-yl]propanamide, dicyanide chemical structure, C50H73CoN13O8
Cobalt(2+), 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,14Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2S)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,23-hexahydrocorrin-8-yl]propanamide, dicyanide
C50H73CoN13O8
Cobalt(2+), 3-[(1R,2S,3S,7S,8S,13S,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2S)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanamide, dicyanide chemical structure, C50H73CoN13O8
Cobalt(2+), 3-[(1R,2S,3S,7S,8S,13S,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[[(2S)-2-hydroxypropyl]amino]-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanamide, dicyanide
C50H73CoN13O8
C50H73CoN13O8 chemical structure, C50H73CoN13O8
C50H73CoN13O8
C50H73CoN13O8
Dicyanocobinamide chemical structure, C50H73CoN13O8
Dicyanocobinamide
C50H73CoN13O8