General Information of the Compound
| Compound ID |
CP0968628
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| Compound Name |
(2-(3-Phenoxyphenoxy)-6-(trifluoromethyl)pyridin-4-yl)methanamine trifluoroacetate
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| Structure |
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| Formula |
C21H16F6N2O4
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| Molecular Weight |
474.357
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| Canonical SMILES |
NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H15F3N2O2.C2HF3O2/c20-19(21,22)17-9-13(12-23)10-18(24-17)26-16-8-4-7-15(11-16)25-14-5-2-1-3-6-14;3-2(4,5)1(6)7/h1-11H,12,23H2;(H,6,7)
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| InChIKey |
FBJAKMYOWVYNMC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound