General Information of the Compound
| Compound ID |
CP0485612
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| Compound Name |
4-amino-N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluorobenzamide
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| Structure |
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| Formula |
C21H13F7N2O2
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| Molecular Weight |
458.333
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| Canonical SMILES |
Nc1ccc(C(=O)Nc2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)c(F)c1
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| InChI |
InChI=1S/C21H13F7N2O2/c22-18-10-13(29)1-6-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,29H2,(H,30,31)
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| InChIKey |
OEVHCFAPNLQUHQ-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