General Information of the Compound
| Compound ID |
CP0956051
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| Compound Name |
3-(4-(1,4-dimethyl-1H-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)-N-(3-(trifluoromethoxy)phenyl)benzamide
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| Structure |
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| Formula |
C21H17F3N6O2
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| Molecular Weight |
442.401
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| Canonical SMILES |
Cc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(OC(F)(F)F)c3)c2)nn1
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| InChI |
InChI=1S/C21H17F3N6O2/c1-13-19(29(2)12-25-13)18-11-30(28-27-18)16-7-3-5-14(9-16)20(31)26-15-6-4-8-17(10-15)32-21(22,23)24/h3-12H,1-2H3,(H,26,31)
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| InChIKey |
XJSPAIOUXCLCDP-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