COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758873
Chemical Name: (1S,2S,5R)-2-[3-(2-chlorophenyl)-4-methyl-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)C)c1ccccc1Cl

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Molecular Weight: 351.81
Empirical Formula: C15H14ClN3O3S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 0.65
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 4

     

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