COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573057
Chemical Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperidinium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCC(CC1)C)[O-]

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Molecular Weight: 477.48
Empirical Formula: C25H26F3NO5

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 5.844
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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