General Information of the Compound
| Compound ID |
CP0969091
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| Compound Name |
N-(3-bromo-5-methylphenyl)-3-(4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)benzamide
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| Structure |
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| Formula |
C20H17BrN6O
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| Molecular Weight |
437.301
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| Canonical SMILES |
Cc1cc(Br)cc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1
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| InChI |
InChI=1S/C20H17BrN6O/c1-13-6-15(21)9-16(7-13)23-20(28)14-4-3-5-17(8-14)27-11-18(24-25-27)19-10-22-12-26(19)2/h3-12H,1-2H3,(H,23,28)
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| InChIKey |
QKMKACZLECGIPJ-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