COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084744
Chemical Name: (2E)-2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)Nc1cc(ccc1OC)[N+](=O)[O-]

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Molecular Weight: 391.31
Empirical Formula: C18H12F3N3O4

Physical State: Dry powder
Available Amount: 413 mg

Lipinsky:
logP: 4.693
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 2

     

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