General Information of the Compound
| Compound ID |
CP0447530
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| Compound Name |
3-ethyl-7-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
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| Structure |
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| Formula |
C27H30F3N5O2
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| Molecular Weight |
513.564
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| Canonical SMILES |
CCc1nc(C(N)=O)c2C(CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C27H30F3N5O2/c1-3-21-33-22(25(31)36)24-20(14-11-17-9-12-19(13-10-17)27(28,29)30)34(15-16-35(21)24)23(26(37)32-2)18-7-5-4-6-8-18/h4-10,12-13,20,23H,3,11,14-16H2,1-2H3,(H2,31,36)(H,32,37)/t20?,23-/m1/s1
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| InChIKey |
MBGJCHYJWNDLDU-GWQXNCQPSA-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