General Information of the Compound
| Compound ID |
CP0248144
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| Compound Name |
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-(methylamino)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C21H23F3N2O4
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| Molecular Weight |
424.419
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| Canonical SMILES |
CN[C@H]1C[C@H](N(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1c(OC)cccc1OC
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| InChI |
InChI=1S/C21H23F3N2O4/c1-25-15-11-16(19-17(28-2)5-4-6-18(19)29-3)26(20(15)27)12-13-7-9-14(10-8-13)30-21(22,23)24/h4-10,15-16,25H,11-12H2,1-3H3/t15-,16-/m0/s1
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| InChIKey |
WIOKERJYWBGMGL-HOTGVXAUSA-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