General Information of the Compound
| Compound ID |
CP0917563
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| Compound Name |
N-(3-((1-(Isoxazole-5-carbonyl)piperidin-4-yl)oxy)-4-methylphenyl)-6-(trifluoromethyl)picolinamide
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| Structure |
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| Formula |
C23H21F3N4O4
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| Molecular Weight |
474.439
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2ccno2)CC1
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| InChI |
InChI=1S/C23H21F3N4O4/c1-14-5-6-15(28-21(31)17-3-2-4-20(29-17)23(24,25)26)13-19(14)33-16-8-11-30(12-9-16)22(32)18-7-10-27-34-18/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,28,31)
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| InChIKey |
ORUXXYFQXURYJR-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