General Information of the Compound
| Compound ID |
CP0407634
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| Compound Name |
(2R)-2-[(8S)-1-chloro-3-cyclopropyl-8-[2-[2-fluoro-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 |
C27H27ClF4N4O
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| Molecular Weight |
534.985
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| Canonical SMILES |
CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1F)C(F)(F)F)C1CC1)c1ccccc1
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| InChI |
InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-7-8-18)21(35)12-10-16-9-11-19(15-20(16)29)27(30,31)32/h2-6,9,11,15,18,21-22H,7-8,10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1
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| InChIKey |
GRPJZRATDPRBRC-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