General Information of the Compound
| Compound ID |
CP0965901
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| Compound Name |
3-(4-(1,4-dimethyl-1H-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C21H17F3N6O
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| Molecular Weight |
426.402
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| Canonical SMILES |
Cc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1
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| InChI |
InChI=1S/C21H17F3N6O/c1-13-19(29(2)12-25-13)18-11-30(28-27-18)17-8-3-5-14(9-17)20(31)26-16-7-4-6-15(10-16)21(22,23)24/h3-12H,1-2H3,(H,26,31)
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| InChIKey |
JJPFWAQKOGBNPW-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