General Information of the Compound
| Compound ID |
CP0963778
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| Compound Name |
4-Methyl-N-(4-methyl-3-((1-nicotinoylpiperidin-4-yl)oxy)phenyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H26F3N3O3
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| Molecular Weight |
497.517
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2cccnc2)CC1
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| InChI |
InChI=1S/C27H26F3N3O3/c1-17-5-7-19(14-23(17)27(28,29)30)25(34)32-21-8-6-18(2)24(15-21)36-22-9-12-33(13-10-22)26(35)20-4-3-11-31-16-20/h3-8,11,14-16,22H,9-10,12-13H2,1-2H3,(H,32,34)
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| InChIKey |
KTRZDNUHDZPJAW-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