General Information of the Compound
| Compound ID |
CP0103417
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| Compound Name |
2-Hydroxy-4-methyl-4-phenyl-2-trifluoromethyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
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| Structure |
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| Formula |
C21H20F3NO4
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| Molecular Weight |
407.388
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| Canonical SMILES |
CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C21H20F3NO4/c1-19(2,14-6-4-3-5-7-14)12-20(28,21(22,23)24)18(27)25-15-8-9-16-13(10-15)11-29-17(16)26/h3-10,28H,11-12H2,1-2H3,(H,25,27)
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| InChIKey |
WJEDKJKCQOZDNI-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