General Information of the Compound
| Compound ID |
CP0094466
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| Compound Name |
N-(2,3-dichlorophenyl)-2-[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
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| Structure |
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| Formula |
C20H15Cl2FN6O
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| Molecular Weight |
445.285
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
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| InChI |
InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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| InChIKey |
PRSMZNFUKBHAIS-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: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142