General Information of the Compound
| Compound ID |
CP0959638
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| Compound Name |
N-(4-chloro-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 |
C19H13ClF3N5O2
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| Molecular Weight |
435.793
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| Canonical SMILES |
N#Cc1ccc(OCc2cn(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nn2)cc1
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| InChI |
InChI=1S/C19H13ClF3N5O2/c20-17-6-3-13(7-16(17)19(21,22)23)25-18(29)10-28-9-14(26-27-28)11-30-15-4-1-12(8-24)2-5-15/h1-7,9H,10-11H2,(H,25,29)
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| InChIKey |
QFTHKNDEWVDULR-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