General Information of the Compound
| Compound ID |
CP0949660
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| Compound Name |
N-(4-cyano-3-(trifluoromethyl)phenyl)-2-(4-((4-cyanophenoxy)methyl)-1H-1,2,3-triazol-1-yl)acetamide
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| Structure |
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| Formula |
C20H13F3N6O2
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| Molecular Weight |
426.358
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| Canonical SMILES |
N#Cc1ccc(OCc2cn(CC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)nn2)cc1
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| InChI |
InChI=1S/C20H13F3N6O2/c21-20(22,23)18-7-15(4-3-14(18)9-25)26-19(30)11-29-10-16(27-28-29)12-31-17-5-1-13(8-24)2-6-17/h1-7,10H,11-12H2,(H,26,30)
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| InChIKey |
JXHMXVHKHQBPDZ-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