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Murcko scaffold

Ring system with 5 rings and 46 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
46
Chemicals
4
With full pages
0
Scaffold SMILES

O=C(NCC(=O)N1CCCC1)c1ccnc2ccc(NCCCN3CCN(C(=O)CN4CCNCCNCCNCC4)CC3)cc12

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=C(NCC(=O)N1CCCC1)c1ccnc2ccc(NCCCN3CCN(C(=O)CN4CCNCCNCCNCC4)CC3)cc12

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 4 of 4 chemicals

FAPi-46 chemical structure, C41H57F2N11O9, CAS 2374782-04-2
FAPi-46
CAS 2374782-04-2C41H57F2N11O9
FAPi-46 GA-68 chemical structure, C41H54F2GaN11O9, CAS 2374784-98-0
FAPi-46 GA-68
CAS 2374784-98-0C41H54F2GaN11O9
DOTA-FAPI46-D-Ala-boroPro chemical structure, C41H63BN10O11, CAS 2715113-91-8
DOTA-FAPI46-D-Ala-boroPro
CAS 2715113-91-8C41H63BN10O11
2-[4,7-Bis(carboxymethyl)-10-[2-[4-[3-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1,1-dideuterio-2-oxoethyl]carbamoyl]quinolin-6-yl]-methylamino]propyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid chemical structure, C41H57F2N11O9, CAS 2768441-52-5
2-[4,7-Bis(carboxymethyl)-10-[2-[4-[3-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-1,1-dideuterio-2-oxoethyl]carbamoyl]quinolin-6-yl]-methylamino]propyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CAS 2768441-52-5C41H57F2N11O9