COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL018678
Chemical Name: 4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
Smiles: CNC1C(O)C2OC3OC(C)CC(=O)C3(OC2C(C1O)NC)O

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Molecular Weight: 332.35
Empirical Formula: C14H24N2O7

Physical State: Liquid
Available Amount: 235 mg

Lipinsky:
logP: 1.272
Rotatable bonds: 5
H-donors: 5
H-acceptors: 7
PSA: 129
Number of rings: 3

     

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