General Information of the Compound
| Compound ID |
CP0414262
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| Compound Name |
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C24H30F3N3O2
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| Molecular Weight |
449.517
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| Canonical SMILES |
CN(C)CCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H30F3N3O2/c1-29(2)15-16-30-13-11-21(12-14-30)28-23(31)19-5-3-18(4-6-19)17-32-22-9-7-20(8-10-22)24(25,26)27/h3-10,21H,11-17H2,1-2H3,(H,28,31)
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| InChIKey |
NXUYFWZBVKRXHW-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