General Information of the Compound
| Compound ID |
CP0526862
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]acetamide
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| Structure |
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| Formula |
C23H25F3N2O3
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| Molecular Weight |
434.458
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| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1CNC(=O)Cc1ccc2OCOc2c1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N2O3/c1-15-6-8-28(9-7-15)19-12-18(23(24,25)26)4-3-17(19)13-27-22(29)11-16-2-5-20-21(10-16)31-14-30-20/h2-5,10,12,15H,6-9,11,13-14H2,1H3,(H,27,29)
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| InChIKey |
SQDSHVBAEMRPKS-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