COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179431
Chemical Name: (2E)-2-cyano-3-{3,5-diiodo-4-[(3-nitrobenzyl)oxy]phenyl}-N-(4-ethylphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(I)c(c(c1)I)OCc1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)CC

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Molecular Weight: 679.25
Empirical Formula: C25H19I2N3O4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 7.539
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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