COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528400
Chemical Name: 2-(ethoxycarbonyl)-3-(4-methoxyphenyl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CCCC(C3)C)c([O-])ccc2c(=O)c1c1ccc(cc1)OC

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Molecular Weight: 451.52
Empirical Formula: C26H29NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.065
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 4

     

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