General Information of the Compound
| Compound ID |
CP0114207
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| Compound Name |
N-(3,4-dimethoxyphenyl)-7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C22H19FN2O4
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| Molecular Weight |
394.402
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| Canonical SMILES |
COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1OC
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| InChI |
InChI=1S/C22H19FN2O4/c1-26-17-11-10-13(12-19(17)28-3)24-22-25-16-8-4-6-14(21(16)29-22)20-15(23)7-5-9-18(20)27-2/h4-12H,1-3H3,(H,24,25)
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| InChIKey |
JSFCBYKENXVGRL-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