General Information of the Compound
| Compound ID |
CP0868803
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| Compound Name |
N-(2-(2-Methyl-5-(3-(trifluoromethyl)benzamido)phenoxy)ethyl)-nicotinamide
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| Structure |
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| Formula |
C23H20F3N3O3
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| Molecular Weight |
443.425
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCCNC(=O)c1cccnc1
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| InChI |
InChI=1S/C23H20F3N3O3/c1-15-7-8-19(29-22(31)16-4-2-6-18(12-16)23(24,25)26)13-20(15)32-11-10-28-21(30)17-5-3-9-27-14-17/h2-9,12-14H,10-11H2,1H3,(H,28,30)(H,29,31)
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| InChIKey |
VMNSQWJMRKGAFN-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