COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL509685
Chemical Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[(2-phenylethyl)sulfanyl]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: c1ccc(cc1)CCSCc1nnc2n1nc(s2)c1ccc2c(c1)OCCO2

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Molecular Weight: 410.52
Empirical Formula: C20H18N4O2S2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 5.777
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 5

     

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