COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525499
Chemical Name: 8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-1-thio-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1OC(SC2=CC(=O)c3c(C2=O)c(O)ccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 536.51
Empirical Formula: C24H24O12S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.537
Rotatable bonds: 8
H-donors: 1
H-acceptors: 12
PSA: 194
Number of rings: 3

     

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