Molecule ID: 56935694

IUPAC Name: 4-[3,5-bis(phenylmethoxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

Description: The molecule is a pyridone that is pyridin-2(1H)-one which is substituted at positions 3, 4, and 6 by cyano, 3,5-bis(benzyloxy)phenyl, and 5-chloro-2-hydroxyphenyl groups, respectively. It is an inhibitor for Survivin-Ran protein complex. It has a role as an inhibitor, an antineoplastic agent, a survivin dimerisation modulator and an antimitotic. It is a hydroxynitrile, a pyridone, a member of phenols, a benzyl ether, an aromatic ether and a member of monochlorobenzenes.

SMILES: N#Cc1c(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(-c2cc(Cl)ccc2O)nc1O

SELFIES: [N][#C][C][=C][Branch2][Ring2][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][N][=C][Ring2][Ring2][Ring2][O]

InChI: InChI=1S/C32H23ClN2O4/c33-24-11-12-31(36)28(15-24)30-17-27(29(18-34)32(37)35-30)23-13-25(38-19-21-7-3-1-4-8-21)16-26(14-23)39-20-22-9-5-2-6-10-22/h1-17,36H,19-20H2,(H,35,37)

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: 6.2