General Information of the Compound
| Compound ID |
CP0415025
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| Compound Name |
(2R)-2-[(8S)-3-ethyl-1-methylsulfonyl-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 |
C27H31F3N4O3S
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| Molecular Weight |
548.631
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| Canonical SMILES |
CCc1nc(c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C27H31F3N4O3S/c1-4-22-32-26(38(3,36)37)24-21(15-12-18-10-13-20(14-11-18)27(28,29)30)33(16-17-34(22)24)23(25(35)31-2)19-8-6-5-7-9-19/h5-11,13-14,21,23H,4,12,15-17H2,1-3H3,(H,31,35)/t21-,23+/m0/s1
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| InChIKey |
CUOKKAAJXBAYOA-JTHBVZDNSA-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