General Information of the Compound
| Compound ID |
CP0523012
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
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| Structure |
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| Formula |
C24H26N2O3S
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| Molecular Weight |
422.55
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
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| InChI |
InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3
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| InChIKey |
NJMICVQAQQXLQH-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