COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572275
Chemical Name: 8-[(diethylammonio)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+](CC)CC)[O-]

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Molecular Weight: 451.44
Empirical Formula: C23H24F3NO5

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 5.639
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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