General Information of the Compound
| Compound ID |
CP0500846
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| Compound Name |
(2R)-2-[(8S)-1-chloro-8-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]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 |
C26H26ClF5N4O
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| Molecular Weight |
540.964
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| Canonical SMILES |
CCc1nc(Cl)c2[C@H](CCc3cc(F)c(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C26H26ClF5N4O/c1-3-20-34-24(27)23-19(10-9-15-13-17(28)21(18(29)14-15)26(30,31)32)35(11-12-36(20)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-8,13-14,19,22H,3,9-12H2,1-2H3,(H,33,37)/t19-,22+/m0/s1
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| InChIKey |
ZLSMEEAKWIEMPS-SIKLNZKXSA-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