COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK466853
Chemical Name: 3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclohexyl-4-methyl-4H-1,2,4-triazole
Smiles: Cn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1C1CCCCC1

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Molecular Weight: 414.55
Empirical Formula: C20H22N4O2S2

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 4.944
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 5

     

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