COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045765
Chemical Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CCCC(C3)C)c([O-])c(cc2c(=O)c1c1ccc2c(c1)OCCO2)CC

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Molecular Weight: 507.58
Empirical Formula: C29H33NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.867
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 98
Number of rings: 5

     

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