COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK621221
Chemical Name: 5-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-2-chlorobenzoicacid
Smiles: OC(=O)c1cc(ccc1Cl)n1c(=S)[nH]nc1c1ccc2c(c1)OCO2

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Molecular Weight: 375.79
Empirical Formula: C16H10ClN3O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.011
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 4

     

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