General Information of the Compound
| Compound ID |
CP0530447
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| Compound Name |
[(2R,5R)-2-methyl-5-(4-phenylpyridin-2-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C26H25N5O2
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| Molecular Weight |
439.519
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)-c1ccccc1
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| InChI |
InChI=1S/C26H25N5O2/c1-19-11-12-22(33-25-17-21(13-14-27-25)20-7-3-2-4-8-20)18-30(19)26(32)23-9-5-6-10-24(23)31-28-15-16-29-31/h2-10,13-17,19,22H,11-12,18H2,1H3/t19-,22-/m1/s1
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| InChIKey |
PDBSVYYBSKJJSG-DENIHFKCSA-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