COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096825
Chemical Name: (2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)F)/C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 451.84
Empirical Formula: C23H15ClFN3O4

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.988
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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