COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053725
Chemical Name: 5-(diethylammonio)-2-[(E)-{[3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F)CC

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Molecular Weight: 385.47
Empirical Formula: C19H20FN5OS

Physical State: Dry powder
Available Amount: 191 mg

Lipinsky:
logP: 3.887
Rotatable bonds: 4
H-donors: 2
H-acceptors: 1
PSA: 99
Number of rings: 3

     

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