COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565425
Chemical Name: (R)-((2R,3S,4S,5R,6S)-6-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl2-((tert-butoxycarbonyl)amino)propanoat
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)OCC1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCO3)C(F)(F)F)C(C([C@H]1O)O)O)C

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Molecular Weight: 697.62
Empirical Formula: C32H34F3NO13

Physical State: Liquid
Available Amount: 10 mg

Lipinsky:
logP: 5.656
Rotatable bonds: 11
H-donors: 4
H-acceptors: 13
PSA: 188
Number of rings: 5

     

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