COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011857
Chemical Name: (2E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 395.72
Empirical Formula: C17H9ClF3N3O3

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 5.302
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 2

     

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