General Information of the Compound
| Compound ID |
CP0514118
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| Compound Name |
(2R)-2-[(8S)-1-chloro-3-methyl-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 |
C25H26ClF3N4O
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| Molecular Weight |
490.957
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| Canonical SMILES |
CNC(=O)[C@H](N1CCn2c(C)nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C25H26ClF3N4O/c1-16-31-23(26)22-20(13-10-17-8-11-19(12-9-17)25(27,28)29)33(15-14-32(16)22)21(24(34)30-2)18-6-4-3-5-7-18/h3-9,11-12,20-21H,10,13-15H2,1-2H3,(H,30,34)/t20-,21+/m0/s1
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| InChIKey |
MRQQWLZUOSXYEW-LEWJYISDSA-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