General Information of the Compound
| Compound ID |
CP0553749
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| Compound Name |
4-[3,5-bis(trifluoromethyl)phenoxy]-N-[(2-chloro-6-fluorophenyl)methyl]aniline
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| Structure |
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| Formula |
C21H13ClF7NO
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| Molecular Weight |
463.78
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| Canonical SMILES |
Fc1cccc(Cl)c1CNc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H13ClF7NO/c22-18-2-1-3-19(23)17(18)11-30-14-4-6-15(7-5-14)31-16-9-12(20(24,25)26)8-13(10-16)21(27,28)29/h1-10,30H,11H2
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| InChIKey |
RWUYZSWEKKVZOE-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