General Information of the Compound
| Compound ID |
CP0114214
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| Compound Name |
7-[2-(trifluoromethoxy)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C23H19F3N2O5
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| Molecular Weight |
460.408
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| Canonical SMILES |
COc1cc(Nc2nc3cccc(-c4ccccc4OC(F)(F)F)c3o2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H19F3N2O5/c1-29-18-11-13(12-19(30-2)21(18)31-3)27-22-28-16-9-6-8-15(20(16)32-22)14-7-4-5-10-17(14)33-23(24,25)26/h4-12H,1-3H3,(H,27,28)
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| InChIKey |
KDQOOIHKBSSOBE-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