COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132048
Chemical Name: 3-{[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Clc1cc(CSc2nnc(n2c2ccccc2)c2cccc(c2)F)c2c(c1)COCO2

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Molecular Weight: 453.92
Empirical Formula: C23H17ClFN3O2S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 6.883
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 5

     

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