COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617717
Chemical Name: 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1c1ccc(c(c1)C(=O)O)Cl

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Molecular Weight: 391.83
Empirical Formula: C17H14ClN3O4S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 1.886
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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