COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK297343
Chemical Name: 2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone
Smiles: CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 451.55
Empirical Formula: C23H25N5O3S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 3.659
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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