COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK200939
Chemical Name: (2E)-3-{3-chloro-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}-2-(4-fluorophenyl)prop-2-enenitrile
Smiles: COc1cc(/C=C(\c2ccc(cc2)F)/C#N)cc(c1OCc1cccc(c1)[N+](=O)[O-])Cl

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Molecular Weight: 438.84
Empirical Formula: C23H16ClFN2O4

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 6.493
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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