COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525877
Chemical Name: 3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Smiles: COC1=C(S[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 550.54
Empirical Formula: C25H26O12S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.868
Rotatable bonds: 7
H-donors: 0
H-acceptors: 12
PSA: 183
Number of rings: 3

     

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