COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL530912
Chemical Name: 8-{[benzyl(methyl)ammonio]methyl}-3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: COc1ccc(c(c1)c1c(=O)oc2c(c1C)ccc(c2C[NH+](Cc1ccccc1)C)[O-])OC

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Molecular Weight: 445.52
Empirical Formula: C27H27NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.226
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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