General Information of the Compound
| Compound ID |
CP0473217
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| Compound Name |
(2R)-2-[(8R)-1-chloro-3-ethyl-8-[[3-(trifluoromethyl)phenoxy]methyl]-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 |
C25H26ClF3N4O2
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| Molecular Weight |
506.956
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| Canonical SMILES |
CCc1nc(Cl)c2[C@H](COc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-7-10-17(14-18)25(27,28)29)32(12-13-33(20)22)21(24(34)30-2)16-8-5-4-6-9-16/h4-11,14,19,21H,3,12-13,15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1
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| InChIKey |
YTPUXNYYNVRQMZ-PZJWPPBQSA-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