General Information of the Compound
| Compound ID |
CP0549342
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| Compound Name |
3-(1,3-benzothiazol-2-yl)-6-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C24H22ClN3O3S
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| Molecular Weight |
467.978
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3ccccc3s2)c(=O)[nH]1
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| InChI |
InChI=1S/C24H22ClN3O3S/c1-2-31-21-14-17(25)16(13-20(21)28-9-11-30-12-10-28)18-8-7-15(23(29)26-18)24-27-19-5-3-4-6-22(19)32-24/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)
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| InChIKey |
JUEGORAEZRDVPB-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT04871, Hydroxycarboxylic acid receptor 1