General Information of the Compound
| Compound ID |
CP0855335
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| Compound Name |
2-(trifluoromethyl)-4-(4-((4-(trifluoromethyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)benzonitrile
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| Structure |
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| Formula |
C18H10F6N4O
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| Molecular Weight |
412.293
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| Canonical SMILES |
N#Cc1ccc(-n2cc(COc3ccc(C(F)(F)F)cc3)nn2)cc1C(F)(F)F
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| InChI |
InChI=1S/C18H10F6N4O/c19-17(20,21)12-2-5-15(6-3-12)29-10-13-9-28(27-26-13)14-4-1-11(8-25)16(7-14)18(22,23)24/h1-7,9H,10H2
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| InChIKey |
ADTABOFDVGLRSR-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