General Information of the Compound
| Compound ID |
CP0437404
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| Compound Name |
[(2S)-2-[[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C22H20FN7O2
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| Molecular Weight |
433.447
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| Canonical SMILES |
Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2ccccc2-n2nccn2)n1
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| InChI |
InChI=1S/C22H20FN7O2/c23-16-6-7-18(24-14-16)19-8-12-28(27-19)15-21-29(11-3-13-32-21)22(31)17-4-1-2-5-20(17)30-25-9-10-26-30/h1-2,4-10,12,14,21H,3,11,13,15H2/t21-/m0/s1
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| InChIKey |
VWFHAQXJYLRSEX-NRFANRHFSA-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