COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528257
Chemical Name: 3-(3,4-dimethoxyphenyl)-2-(ethoxycarbonyl)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CCCCC3C)c([O-])ccc2c(=O)c1c1ccc(c(c1)OC)OC

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Molecular Weight: 481.55
Empirical Formula: C27H31NO7

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.947
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 98
Number of rings: 4

     

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