COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK769687
Chemical Name: (1S,2S,5R)-2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: COc1cc(Cl)c(cc1n1nnn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)OC

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Molecular Weight: 398.83
Empirical Formula: C15H15ClN4O5S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 0.794
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 4

     

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