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Murcko scaffold

Ring system with 3 rings and 42 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
42
Chemicals
8
With full pages
1
Scaffold SMILES

O=C(CCc1ccccc1)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1c[nH]c2ccccc12

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(CCc1ccccc1)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1c[nH]c2ccccc12

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 8 of 8 chemicals

Yllemlwrl chemical structure, C60H93N13O13S, CAS 203515-09-7
Yllemlwrl
CAS 203515-09-7C60H93N13O13S
L-Phenylalanyl-L-alanyl-L-threonyl-L-cysteinyl-L-lysyl-L-valyl-L-tryptophan chemical structure, C41H59N9O9S, CAS 918528-13-9
L-Phenylalanyl-L-alanyl-L-threonyl-L-cysteinyl-L-lysyl-L-valyl-L-tryptophan
CAS 918528-13-9C41H59N9O9S
Cerexin B chemical structure, C69H107N15O17, CAS 55467-34-0
Cerexin B
CAS 55467-34-0C69H107N15O17
Myosin light chain kinase (480-501) chemical structure, C120H209N41O28S2, CAS 313642-00-1
Myosin light chain kinase (480-501)
CAS 313642-00-1C120H209N41O28S2
Cerexin-D4 chemical structure, C66H101N15O17, CAS 70943-88-3
Cerexin-D4
CAS 70943-88-3C66H101N15O17
Orb3024405 chemical structure, C65H99N15O18, CAS 70943-81-6
Orb3024405
CAS 70943-81-6C65H99N15O18
H-DL-Ala-DL-Lys-DL-Lys-DL-Leu-DL-Ser-DL-Lys-DL-Asp-DL-Arg-DL-Met-DL-Lys-DL-Lys-DL-Tyr-DL-Met-DL-Ala-DL-Arg-DL-Arg-DL-Lys-DL-Trp-DL-Gln-DL-Lys-DL-xiThr-Gly-NH2 chemical structure, C120H209N41O28S2
H-DL-Ala-DL-Lys-DL-Lys-DL-Leu-DL-Ser-DL-Lys-DL-Asp-DL-Arg-DL-Met-DL-Lys-DL-Lys-DL-Tyr-DL-Met-DL-Ala-DL-Arg-DL-Arg-DL-Lys-DL-Trp-DL-Gln-DL-Lys-DL-xiThr-Gly-NH2
C120H209N41O28S2
Orb3023183 chemical structure, C66H101N15O18, CAS 70943-84-9
Orb3023183
CAS 70943-84-9C66H101N15O18