COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325511
Chemical Name: 3-hydroxy-2-[(1-phenylethyl)amino]-6,8-dioxabicyclo[3.2.1]oct-4-yl4-methylbenzenesulfonate(non-preferredname)
Smiles: OC1C(OS(=O)(=O)c2ccc(cc2)C)C2OCC(C1NC(c1ccccc1)C)O2

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Molecular Weight: 419.5
Empirical Formula: C21H25NO6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.551
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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