COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK729667
Chemical Name: 1-(2-hydroxyethyl)-2,6-bis(4-nitrophenyl)-4-phenylpyridinium
Smiles: OCC[n+]1c(cc(cc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: CIO4-
Molecular Weight: 442.45
Empirical Formula: C25H20N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.027
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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