General Information of the Compound
| Compound ID |
CP0943521
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| Compound Name |
2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-2-methylpropanoic acid
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| Structure |
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| Formula |
C19H17ClF3NO4
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| Molecular Weight |
415.795
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| Canonical SMILES |
CC(C)(NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O
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| InChI |
InChI=1S/C19H17ClF3NO4/c1-18(2,17(26)27)24-16(25)12-5-3-4-11(8-12)10-28-15-7-6-13(9-14(15)20)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
XCSKHXSRRFHTJO-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