COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183035
Chemical Name: (2E)-2-cyano-3-{3,5-dichloro-4-[(3-nitrobenzyl)oxy]phenyl}-N-(4-hydroxyphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)OCc1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)O

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Molecular Weight: 484.29
Empirical Formula: C23H15Cl2N3O5

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 5.094
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 3

     

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