COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK376744
Chemical Name: (2R,3R,4S,5S,6R)-2-({[(2S,3S,4S,5R,6R)-6-[(3,4-dimethylphenyl)amino]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]methoxy}methyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(non-prefe
Smiles: OC[C@H]1O[C@@H](Nc2ccc(c(c2)C)C)[C@@H]([C@H]([C@@H]1COC[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O

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Molecular Weight: 473.52
Empirical Formula: C22H35NO10

Physical State: Liquid
Available Amount: 1 mg

Lipinsky:
logP: -0.941
Rotatable bonds: 4
H-donors: 8
H-acceptors: 10
PSA: 181
Number of rings: 3

     

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