General Information of the Compound
| Compound ID |
CP0414261
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| Compound Name |
N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C22H25F3N2O3
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| Molecular Weight |
422.447
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| Canonical SMILES |
OCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H25F3N2O3/c23-22(24,25)18-5-7-20(8-6-18)30-15-16-1-3-17(4-2-16)21(29)26-19-9-11-27(12-10-19)13-14-28/h1-8,19,28H,9-15H2,(H,26,29)
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| InChIKey |
MFWLAOMDPMVTEZ-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