COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK628653
Chemical Name: 1-{4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone
Smiles: CC(=O)c1ccc(cc1)n1c(=S)[nH]nc1c1ccc2c(c1)OCO2

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Molecular Weight: 339.37
Empirical Formula: C17H13N3O3S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 1.636
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 4

     

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