General Information of the Compound
| Compound ID |
CP0426830
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| Compound Name |
(2R)-2-[3-ethyl-1-propyl-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 |
C29H35F3N4O
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| Molecular Weight |
512.62
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| Canonical SMILES |
CCCc1nc(CC)n2CCN([C@@H](C(=O)NC)c3ccccc3)C(CCc3ccc(cc3)C(F)(F)F)c12
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| InChI |
InChI=1S/C29H35F3N4O/c1-4-9-23-27-24(17-14-20-12-15-22(16-13-20)29(30,31)32)35(18-19-36(27)25(5-2)34-23)26(28(37)33-3)21-10-7-6-8-11-21/h6-8,10-13,15-16,24,26H,4-5,9,14,17-19H2,1-3H3,(H,33,37)/t24?,26-/m1/s1
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| InChIKey |
UCHOFKCDLMZEAO-JUERFOTFSA-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