COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474124
Chemical Name: 3-(1,3-benzodioxol-5-yl)-5-({[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-4H-1,2,4-triazole
Smiles: CCn1c(SCc2csc(n2)c2ccccc2Cl)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 456.98
Empirical Formula: C21H17ClN4O2S2

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.778
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 5

     

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