General Information of the Compound
| Compound ID |
CP0455265
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| Compound Name |
3-ethyl-N-methyl-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 |
C28H32F3N5O2
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| Molecular Weight |
527.591
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| Canonical SMILES |
CCc1nc(C(=O)NC)c2C(CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
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| InChI |
InChI=1S/C28H32F3N5O2/c1-4-22-34-23(26(37)32-2)25-21(15-12-18-10-13-20(14-11-18)28(29,30)31)35(16-17-36(22)25)24(27(38)33-3)19-8-6-5-7-9-19/h5-11,13-14,21,24H,4,12,15-17H2,1-3H3,(H,32,37)(H,33,38)/t21?,24-/m1/s1
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| InChIKey |
WDACYZSOYWEYKB-MQNHUJCZSA-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