COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675562
Chemical Name: (1S,2S,5R)-2-{3-[hydroxy(phenyl)methyl]-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=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)C(c1ccccc1)O

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Molecular Weight: 409.47
Empirical Formula: C21H19N3O4S

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 1.962
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 5

     

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