COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590586
Chemical Name: 8-[(diethylammonio)methyl]-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1ccccc1c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](CC)CC)[O-]

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Molecular Weight: 421.42
Empirical Formula: C22H22F3NO4

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 5.817
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 3

     

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