COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528449
Chemical Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1C)[O-]

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Molecular Weight: 423.51
Empirical Formula: C25H29NO5

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.462
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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