COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528457
Chemical Name: 3-[4-(beta-D-glucopyranosyloxy)phenyl]-6,8-bis[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromene-5,7-diolate
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)c2coc3c(c2=O)c([O-])c(c(c3C[NH+]2CCCCC2C)[O-])C[NH+]2CCCCC2C)[C@@H]([C@H]([C@@H]1O)O)O

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Molecular Weight: 654.76
Empirical Formula: C35H46N2O10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.364
Rotatable bonds: 5
H-donors: 6
H-acceptors: 10
PSA: 180
Number of rings: 6

     

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