COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538634
Chemical Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-7-(piperidin-1-ylmethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
Smiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCCCC1)O)OC

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Molecular Weight: 425.44
Empirical Formula: C20H27NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.589
Rotatable bonds: 5
H-donors: 5
H-acceptors: 9
PSA: 149
Number of rings: 4

     

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