COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559130
Chemical Name: 2-[(E)-{[3-(2,4-dichlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1/N=C/c1ccccc1C(=O)O

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Molecular Weight: 393.25
Empirical Formula: C16H10Cl2N4O2S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.995
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 109
Number of rings: 3

     

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