COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL509756
Chemical Name: 3-{1-[4-(dimethylamino)pyridinium-1-yl]-2-(4-methoxyphenyl)-2-oxoethyl}-2-oxo-2H-chromen-4-olate
Smiles: COc1ccc(cc1)C(=O)C(c1c(=O)oc2c(c1[O-])cccc2)[n+]1ccc(cc1)N(C)C

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Molecular Weight: 430.46
Empirical Formula: C25H22N2O5

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 0.37
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 82
Number of rings: 4

     

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