Molecule ID: 135566415

IUPAC Name: 4-chloro-6-[5-(2-morpholin-4-ylethylamino)-1,2-benzoxazol-3-yl]benzene-1,3-diol

Description: The molecule is a member of the class of 1,2-benzoxazoles carrying 2,4-dihydroxy-4-chlorophenyl and (2-morpholin-4-ylethyl)amino substituents at positions 3 and 5 respectively. It has a role as a Hsp90 inhibitor. It is a member of 1,2-benzoxazoles, a member of morpholines, a member of resorcinols, a member of monochlorobenzenes, a tertiary amino compound, a secondary amino compound and an aromatic amine.

SMILES: Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl

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

InChI: InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2

Molecular Properties:
- Polar Surface Area: 91.0 Ų
- LogP: 2.9