COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK293053
Chemical Name: (2E)-2-(1,3-benzodioxol-5-yl)-3-{2-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Smiles: N#C/C(=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])/c1ccc2c(c1)OCO2

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Molecular Weight: 400.39
Empirical Formula: C23H16N2O5

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 5.997
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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