COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592800
Chemical Name: 8-{[benzyl(methyl)ammonio]methyl}-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](Cc1ccccc1)C)[O-]

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Molecular Weight: 485.46
Empirical Formula: C26H22F3NO5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 7.368
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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