General Information of the Compound
| Compound ID |
CP0483456
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| Compound Name |
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C26H26F3N3O2
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| Molecular Weight |
469.507
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| Canonical SMILES |
FC(F)(F)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1
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| InChI |
InChI=1S/C26H26F3N3O2/c27-26(28,29)22-7-9-24(10-8-22)34-18-19-3-5-21(6-4-19)25(33)31-23-11-14-32(15-12-23)17-20-2-1-13-30-16-20/h1-10,13,16,23H,11-12,14-15,17-18H2,(H,31,33)
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| InChIKey |
JPXDIVWWVSAUEE-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