COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594469
Chemical Name: 8-{[butyl(methyl)ammonio]methyl}-3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)C

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Molecular Weight: 465.47
Empirical Formula: C24H26F3NO5

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 6.17
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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