General Information of the Compound
| Compound ID |
CP0554965
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| Compound Name |
N-(1-butylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C24H29F3N2O2
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| Molecular Weight |
434.502
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| Canonical SMILES |
CCCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H29F3N2O2/c1-2-3-14-29-15-12-21(13-16-29)28-23(30)19-6-4-18(5-7-19)17-31-22-10-8-20(9-11-22)24(25,26)27/h4-11,21H,2-3,12-17H2,1H3,(H,28,30)
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| InChIKey |
ABXREUJFQZKGGD-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