General Information of the Compound
| Compound ID |
CP0444258
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| Compound Name |
5-(2,6-dimethoxyphenyl)-3-methyl-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C22H24N2O3S
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| Molecular Weight |
396.512
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| Canonical SMILES |
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1
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| InChI |
InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3
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| InChIKey |
PGAMEEPCGOUJEZ-UHFFFAOYSA-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