General Information of the Compound
| Compound ID |
CP0251487
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| Compound Name |
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6,7-dimethoxy-4-oxo-1H-quinoline-2-carboxamide
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H31N3O4/c1-32-24-14-20-21(16-25(24)33-2)28-22(15-23(20)30)26(31)27-11-8-18-9-12-29(13-10-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,27,31)(H,28,30)
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| InChIKey |
FYEQJLDNQJUZMM-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