COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272143
Chemical Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Smiles: O=C(c1ccc2c(c1)OCCO2)Cn1nc(n(c1=S)Cc1ccccc1)COc1ccccc1

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Molecular Weight: 473.55
Empirical Formula: C26H23N3O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.577
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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