COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048533
Chemical Name: 3-(2-ethoxyphenoxy)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCOc1ccccc1Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[O-]

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Molecular Weight: 449.43
Empirical Formula: C23H22F3NO5

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 5.806
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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