COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK664958
Chemical Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Smiles: Cc1ccc(c(c1)n1nc2c(n1)cccc2)OCc1nnc(n1C)SCC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 514.56
Empirical Formula: C26H22N6O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.5
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 131
Number of rings: 6

     

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