General Information of the Compound
Compound ID |
CP0367355
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Compound Name |
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-(dimethylamino)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
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Structure |
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Formula |
C22H25F3N2O4
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Molecular Weight |
438.446
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Canonical SMILES |
COc1cccc(OC)c1[C@@H]1C[C@H](N(C)C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
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InChI |
InChI=1S/C22H25F3N2O4/c1-26(2)17-12-16(20-18(29-3)6-5-7-19(20)30-4)27(21(17)28)13-14-8-10-15(11-9-14)31-22(23,24)25/h5-11,16-17H,12-13H2,1-4H3/t16-,17-/m0/s1
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InChIKey |
YADKIADCRYTVEU-IRXDYDNUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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