General Information of the Compound
| Compound ID |
CP0419293
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| Compound Name |
N-(2,3-dichlorophenyl)-2-methyl-2-[4-[4-(2-methylimidazol-1-yl)phenyl]triazol-1-yl]propanamide
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| Structure |
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| Formula |
C22H20Cl2N6O
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| Molecular Weight |
455.349
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| Canonical SMILES |
Cc1nccn1-c1ccc(cc1)-c1cn(nn1)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H20Cl2N6O/c1-14-25-11-12-29(14)16-9-7-15(8-10-16)19-13-30(28-27-19)22(2,3)21(31)26-18-6-4-5-17(23)20(18)24/h4-13H,1-3H3,(H,26,31)
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| InChIKey |
WXJZLQMCWDHDLZ-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