COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047891
Chemical Name: 3-[4-(ethoxycarbonyl)phenoxy]-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCN(CC1)C)[O-]

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Molecular Weight: 506.48
Empirical Formula: C25H25F3N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.202
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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