trans-photoNECA (blue) [512522]



trans-photoNECA (blue)


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/N=N/c4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey TWQRPAGBMNXURX-APJVYBOUSA-N

Chemical Properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 5
Log P 0.579
Molecular weight (Da) 412.2
Stereochemistry info partial

Database connections
Structure pdb 8WDT

No bioactivity data available.

trans-photoNECA (blue)


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 8WDT

Compound is not listed as a drug.