COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474098
Chemical Name: (2E)-2-cyano-N-(2-nitrophenyl)-3-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)COc1cccc(c1)C(F)(F)F)/C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 457.37
Empirical Formula: C22H14F3N3O5

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 5.889
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 3

     

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