General Information of the Compound
| Compound ID |
CP0422338
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| Compound Name |
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4,6,7-trimethoxyquinoline-2-carboxamide
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| Structure |
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| Formula |
C27H33N3O4
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| Molecular Weight |
463.578
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| Canonical SMILES |
COc1cc2nc(cc(OC)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H33N3O4/c1-32-24-17-23(29-22-16-26(34-3)25(33-2)15-21(22)24)27(31)28-12-9-19-10-13-30(14-11-19)18-20-7-5-4-6-8-20/h4-8,15-17,19H,9-14,18H2,1-3H3,(H,28,31)
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| InChIKey |
BILZMGRMIJNPTH-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