COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524994
Chemical Name: (2R,3R,4S,5R)-2-(acetoxymethyl)-6-(6-((4-((3,5-dioxo-2-((2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)butyl)thio)-3,5-dioxo-4,
Smiles: CC(=O)OCC1O[C@H](C(C([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)n1nc(SCCCCSc2nn(c(=O)[nH]c2=O)[C@@H]2OC(COC(=O)C)[C@@H](C(C2OC(=O)C)OC(=O)C)OC(=O)C)c(=O)[nH]c1=O

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Molecular Weight: 1004.96
Empirical Formula: C38H48N6O22S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.081
Rotatable bonds: 27
H-donors: 2
H-acceptors: 22
PSA: 403
Number of rings: 4

     

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