COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK804120
Chemical Name: 2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 401.87
Empirical Formula: C19H16ClN3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.971
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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