General Information of the Compound
| Compound ID |
CP0455954
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| Compound Name |
(2R)-2-[(8S)-1-chloro-3-cyclopropyl-8-[2-[4-(difluoromethoxy)-3-fluorophenyl]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 |
C27H28ClF3N4O2
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| Molecular Weight |
532.994
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| Canonical SMILES |
CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(OC(F)F)c(F)c1)C1CC1)c1ccccc1
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| InChI |
InChI=1S/C27H28ClF3N4O2/c1-32-26(36)22(17-5-3-2-4-6-17)34-13-14-35-23(24(28)33-25(35)18-9-10-18)20(34)11-7-16-8-12-21(19(29)15-16)37-27(30)31/h2-6,8,12,15,18,20,22,27H,7,9-11,13-14H2,1H3,(H,32,36)/t20-,22+/m0/s1
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| InChIKey |
FCMOLTBBHHJGKE-RBBKRZOGSA-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