COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK768482
Chemical Name: (1S,2S,5R)-2-[4-(prop-2-en-1-yl)-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: C=CCn1c(nn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)c1cccnc1

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Molecular Weight: 344.39
Empirical Formula: C16H16N4O3S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: -0.61
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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