General Information of the Compound
| Compound ID |
CP0426712
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| Compound Name |
N-[[(2S)-5-(2-hydroxyethylamino)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C31H32N4O3
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| Molecular Weight |
508.622
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| Canonical SMILES |
OCCNC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C31H32N4O3/c36-19-18-32-24-15-16-25(20-34-30(37)28-14-6-10-23-11-7-17-33-29(23)28)35(21-24)31(38)27-13-5-4-12-26(27)22-8-2-1-3-9-22/h1-14,17,24-25,32,36H,15-16,18-21H2,(H,34,37)/t24?,25-/m0/s1
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| InChIKey |
QXOYXBXFMZTJDV-BBMPLOMVSA-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