COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201496
Chemical Name: (2E)-3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-(3-nitrophenyl)prop-2-enenitrile
Smiles: CCOc1cc(/C=C(\c2cccc(c2)[N+](=O)[O-])/C#N)cc(c1OCc1ccccc1F)Cl

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Molecular Weight: 452.87
Empirical Formula: C24H18ClFN2O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.238
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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