COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201608
Chemical Name: (2E)-3-{2-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}-2-(3-fluorophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(cc1Br)OCc1cccc(c1)[N+](=O)[O-])/c1cccc(c1)F

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Molecular Weight: 483.29
Empirical Formula: C23H16BrFN2O4

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 6.973
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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