General Information of the Compound
| Compound ID |
CP0250713
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| Compound Name |
N-[2-[[4-methoxy-2-methyl-5-(trifluoromethyl)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C23H24F3N3O3
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| Molecular Weight |
447.457
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| Canonical SMILES |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N3O3/c1-14-9-21(31-3)18(23(24,25)26)11-17(14)12-27-13-20(16-7-5-4-6-8-16)28-22(30)19-10-15(2)32-29-19/h4-11,20,27H,12-13H2,1-3H3,(H,28,30)
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| InChIKey |
LTTKLFWSIJBWDU-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