COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532458
Chemical Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CC3(CC1CC(C3)(C)C)C)occ(c2=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 461.56
Empirical Formula: C28H31NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.238
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 6

     

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