COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK306725
Chemical Name: 3-(difluoromethyl)-N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=N/n1c(SC)nnc1C(F)F

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Molecular Weight: 449.44
Empirical Formula: C19H17F2N5O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.773
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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