COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590460
Chemical Name: 8-{[benzyl(methyl)ammonio]methyl}-3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](Cc1ccccc1)C)[O-]

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Molecular Weight: 499.49
Empirical Formula: C27H24F3NO5

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 6.444
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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