General Information of the Compound
| Compound ID |
CP0449331
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| Compound Name |
N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C26H32F3N3O2
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| Molecular Weight |
475.555
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| Canonical SMILES |
CN1CCC(CC1)N1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H32F3N3O2/c1-31-14-12-23(13-15-31)32-16-10-22(11-17-32)30-25(33)20-4-2-19(3-5-20)18-34-24-8-6-21(7-9-24)26(27,28)29/h2-9,22-23H,10-18H2,1H3,(H,30,33)
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| InChIKey |
HSZZUBRMIFJQQA-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