Compound 1 [512121]



Compound 1


SMILES COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(c3cc4ccc([C@@H](CC(=O)O)C5CC5)cc4o3)CC2)c1
InChIKey RJZJYKXHTPUHAO-HKBQPEDESA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Log P 8.190
Molecular weight (Da) 623.3
Stereochemistry info full

Database connections

Structure pdb 5KW2

No bioactivity data available.

Compound 1


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 5KW2

Compound is not listed as a drug.