General Information of the Compound
| Compound ID |
CP0461652
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| Compound Name |
(2R)-2-[(8S)-1-chloro-8-[2-(4-cyanophenyl)ethyl]-3-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 |
C26H28ClN5O
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| Molecular Weight |
461.997
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| Canonical SMILES |
CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C#N)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C26H28ClN5O/c1-3-22-30-25(27)24-21(14-13-18-9-11-19(17-28)12-10-18)31(15-16-32(22)24)23(26(33)29-2)20-7-5-4-6-8-20/h4-12,21,23H,3,13-16H2,1-2H3,(H,29,33)/t21-,23+/m0/s1
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| InChIKey |
BSBWUAILNLVADI-JTHBVZDNSA-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