General Information of the Compound
| Compound ID |
CP0426709
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| Compound Name |
N-[[(2S,4S)-4-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C29H26FN3O2
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| Molecular Weight |
467.544
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| Canonical SMILES |
F[C@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C29H26FN3O2/c30-22-15-17-33(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)23(18-22)19-32-28(34)26-14-6-10-21-11-7-16-31-27(21)26/h1-14,16,22-23H,15,17-19H2,(H,32,34)/t22-,23-/m0/s1
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| InChIKey |
ZKSNDTPCNNMBCL-GOTSBHOMSA-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