General Information of the Compound
| Compound ID |
CP0076596
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| Compound Name |
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxo-1H-quinoline-2-carboxamide
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H29N3O3/c1-31-20-7-8-22-21(15-20)24(29)16-23(27-22)25(30)26-12-9-18-10-13-28(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,30)(H,27,29)
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| InChIKey |
SEVMHMBWJUMZRY-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