COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515162
Chemical Name: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-6-olate
Smiles: [O-]c1ccc2c(c1)c(C[NH+]1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(=O)o2

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.298
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 75
Number of rings: 5

     

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