General Information of the Compound
| Compound ID |
CP0162718
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| Compound Name |
[(2S)-2-[[5-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C22H20FN7O3
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| Molecular Weight |
449.446
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| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1noc(n1)-c1ccc(F)cn1)-n1nccn1
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| InChI |
InChI=1S/C22H20FN7O3/c1-14-3-6-18(30-25-7-8-26-30)16(11-14)22(31)29-9-2-10-32-20(29)12-19-27-21(33-28-19)17-5-4-15(23)13-24-17/h3-8,11,13,20H,2,9-10,12H2,1H3/t20-/m0/s1
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| InChIKey |
HCUREBSNYDMSKO-FQEVSTJZSA-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