General Information of the Compound
| Compound ID |
CP0450685
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| Compound Name |
N-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C29H27N3O2
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| Molecular Weight |
449.554
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| Canonical SMILES |
O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
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| InChI |
InChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)
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| InChIKey |
WAKGEROYRUJRJS-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1