COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK640716
Chemical Name: 3-{[3-(1,3-benzodioxol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoicacid
Smiles: OC(=O)c1cccc(c1)Cn1c(=S)[nH]nc1c1ccc2c(c1)OCO2

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Molecular Weight: 355.37
Empirical Formula: C17H13N3O4S

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 1.89
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 4

     

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