COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK735532
Chemical Name: 2-[3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1CC(C2OC1OC2)n1nc(n(c1=S)c1ccccc1)COc1ccccc1

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Molecular Weight: 409.47
Empirical Formula: C21H19N3O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.42
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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