COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK783219
Chemical Name: (1R,2R,5S)-2-(3-{[2-(2,4-dichlorobenzyl)-2H-tetrazol-5-yl]methyl}-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)Cc1nnn(n1)Cc1ccc(cc1Cl)Cl

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Molecular Weight: 482.35
Empirical Formula: C18H17Cl2N7O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0.416
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 5

     

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