General Information of the Compound
| Compound ID |
CP0906564
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| Compound Name |
5-(3-(4-bromophenyl)-1-(hydroxyimino)-3-o-tolylpropyl)-1-methylpyridin-2(1H)-one
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| Structure |
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| Formula |
C22H21BrN2O2
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| Molecular Weight |
425.326
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| Canonical SMILES |
Cc1ccccc1C(C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C22H21BrN2O2/c1-15-5-3-4-6-19(15)20(16-7-10-18(23)11-8-16)13-21(24-27)17-9-12-22(26)25(2)14-17/h3-12,14,20,27H,13H2,1-2H3/b24-21+
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| InChIKey |
QRJKRUIJMCAZBY-DARPEHSRSA-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1