COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054829
Chemical Name: 2-[(E)-{[3-(2-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-5-(diethylammonio)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/n1c(=S)[nH]nc1c1ccccc1Cl)CC

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Molecular Weight: 401.92
Empirical Formula: C19H20ClN5OS

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.431
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 99
Number of rings: 3

     

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