COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK125496
Chemical Name: 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccc2c(c1)OCO2

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Molecular Weight: 405.45
Empirical Formula: C22H16FN3O2S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 6.945
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 5

     

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