cmpd644 [511993]



cmpd644


SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)nnc1-c1cccc(C)n1
InChIKey HNGYVRSMVVCWGF-HRAATJIYSA-N

Chemical Properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 9
Log P 2.617
Molecular weight (Da) 525.2
Stereochemistry info full

Database connections

Structure pdb 9KUW 9KUV 9KUX
GPCRdb related ligands

No bioactivity data available.

cmpd644


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 9KUW 9KUV 9KUX

Compound is not listed as a drug.