General Information of the Compound
| Compound ID |
CP0492501
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| Compound Name |
N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C25H32F3N3O2
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| Molecular Weight |
463.544
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| Canonical SMILES |
CN(C)CCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H32F3N3O2/c1-30(2)14-3-15-31-16-12-22(13-17-31)29-24(32)20-6-4-19(5-7-20)18-33-23-10-8-21(9-11-23)25(26,27)28/h4-11,22H,3,12-18H2,1-2H3,(H,29,32)
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| InChIKey |
PDGXFDNTQWGRNH-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