General Information of the Compound
| Compound ID |
CP0574225
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| Compound Name |
N-[4-[3,5-bis(trifluoromethyl)phenoxy]-2-hydroxyphenyl]-2-fluoro-6-iodobenzamide
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| Structure |
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| Formula |
C21H11F7INO3
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| Molecular Weight |
585.213
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| Canonical SMILES |
Oc1cc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1c(F)cccc1I
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| InChI |
InChI=1S/C21H11F7INO3/c22-14-2-1-3-15(29)18(14)19(32)30-16-5-4-12(9-17(16)31)33-13-7-10(20(23,24)25)6-11(8-13)21(26,27)28/h1-9,31H,(H,30,32)
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| InChIKey |
WAZYATJEHLEAMU-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8