General Information of the Compound
| Compound ID |
CP0474075
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| Compound Name |
(2R)-2-[1-ethoxy-3-ethyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-N-methyl-2-phenylacetamide
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| Structure |
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| Formula |
C28H33F3N4O2
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| Molecular Weight |
514.592
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| Canonical SMILES |
CCOc1nc(CC)n2CCN([C@@H](C(=O)NC)c3ccccc3)C(CCc3ccc(cc3)C(F)(F)F)c12
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| InChI |
InChI=1S/C28H33F3N4O2/c1-4-23-33-27(37-5-2)25-22(16-13-19-11-14-21(15-12-19)28(29,30)31)34(17-18-35(23)25)24(26(36)32-3)20-9-7-6-8-10-20/h6-12,14-15,22,24H,4-5,13,16-18H2,1-3H3,(H,32,36)/t22?,24-/m1/s1
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| InChIKey |
JGECFWQLDYUCBG-SYIFMXBLSA-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