General Information of the Compound
| Compound ID |
CP0455955
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| Compound Name |
(2R)-2-[(8S)-1-chloro-3-cyclopropyl-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 |
C27H28ClF3N4O
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| Molecular Weight |
516.995
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| Canonical SMILES |
CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1
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| InChI |
InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1
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| InChIKey |
RHRCOGXSJYWCBK-FCHUYYIVSA-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