COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367469
Chemical Name: (2E)-2-cyano-3-{3-iodo-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(I)c(c(c1)OC)OCc1cccc(c1)[N+](=O)[O-])/C(=O)N

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Molecular Weight: 479.23
Empirical Formula: C18H14IN3O5

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 3.143
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 2

     

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