General Information of the Compound
| Compound ID |
CP0562225
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C22H24F3N3O3
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| Molecular Weight |
435.446
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1ccc2OCOc2c1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N3O3/c1-14-6-8-28(9-7-14)21-16(3-5-19(27-21)22(23,24)25)12-26-20(29)11-15-2-4-17-18(10-15)31-13-30-17/h2-5,10,14H,6-9,11-13H2,1H3,(H,26,29)
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| InChIKey |
AUHBCEPSHULZRH-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