General Information of the Compound
| Compound ID |
CP0485630
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| Compound Name |
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H22FN7O2
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| Molecular Weight |
435.463
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| Canonical SMILES |
CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C22H22FN7O2/c1-4-29(22(31)20-18(10-5-14(2)26-20)30-24-11-12-25-30)15(3)13-19-27-21(32-28-19)16-6-8-17(23)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
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| InChIKey |
SSVVKBOEKJMVND-HNNXBMFYSA-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