General Information of the Compound
| Compound ID |
CP0954340
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| Compound Name |
3-Methoxy-N-(4-methyl-3-((1-nicotinoylpiperidin-4-yl)oxy)-phenyl)benzamide
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
COc1cccc(C(=O)Nc2ccc(C)c(OC3CCN(C(=O)c4cccnc4)CC3)c2)c1
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| InChI |
InChI=1S/C26H27N3O4/c1-18-8-9-21(28-25(30)19-5-3-7-23(15-19)32-2)16-24(18)33-22-10-13-29(14-11-22)26(31)20-6-4-12-27-17-20/h3-9,12,15-17,22H,10-11,13-14H2,1-2H3,(H,28,30)
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| InChIKey |
XDGYKNXLPDVTDF-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