COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526130
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 653.64
Empirical Formula: C33H35NO13

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.793
Rotatable bonds: 6
H-donors: 1
H-acceptors: 13
PSA: 171
Number of rings: 5

     

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