General Information of the Compound
| Compound ID |
CP0419292
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| Compound Name |
N-(2,3-dichlorophenyl)-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
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| Structure |
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| Formula |
C21H18Cl2N6O2
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| Molecular Weight |
457.321
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| Canonical SMILES |
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
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| InChI |
InChI=1S/C21H18Cl2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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| InChIKey |
XWKVYBKJUXFKMD-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