COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094431
Chemical Name: (2E)-2-cyano-N-(2-methyl-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)Nc1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 375.31
Empirical Formula: C18H12F3N3O3

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 5.089
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 2

     

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