General Information of the Compound
| Compound ID |
CP0239686
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| Compound Name |
N-[2-(1-benzylpiperidin-4-yl)ethyl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H27N3O3/c28-21-8-4-7-19-22(29)15-20(26-23(19)21)24(30)25-12-9-17-10-13-27(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17,28H,9-14,16H2,(H,25,30)(H,26,29)
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| InChIKey |
AZLXAYYWUXDYQA-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