General Information of the Compound
| Compound ID |
CP0481852
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| Compound Name |
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-ethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C22H24F3NO5
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| Molecular Weight |
439.43
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| Canonical SMILES |
CCO[C@H]1C[C@H](N(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1c(OC)cccc1OC
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| InChI |
InChI=1S/C22H24F3NO5/c1-4-30-19-12-16(20-17(28-2)6-5-7-18(20)29-3)26(21(19)27)13-14-8-10-15(11-9-14)31-22(23,24)25/h5-11,16,19H,4,12-13H2,1-3H3/t16-,19-/m0/s1
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| InChIKey |
LWDAFPLTCLKWKN-LPHOPBHVSA-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