General Information of the Compound
| Compound ID |
CP0184082
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| Compound Name |
4-tert-butyl-N-[[2-chloro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C20H20ClF3N2O2
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| Molecular Weight |
412.839
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1Cl
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| InChI |
InChI=1S/C20H20ClF3N2O2/c1-19(2,3)14-7-4-12(5-8-14)17(27)25-11-13-6-9-15(10-16(13)21)26-18(28)20(22,23)24/h4-10H,11H2,1-3H3,(H,25,27)(H,26,28)
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| InChIKey |
XXQQYBWXNCCULQ-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