General Information of the Compound
| Compound ID |
CP0864417
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| Compound Name |
(Z)-isopropyl 3-(3-(2-(isopropylamino)-6-(trifluoromethyl)pyridin-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C17H20F3N5O2
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| Molecular Weight |
383.374
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| Canonical SMILES |
CC(C)Nc1cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)cc(C(F)(F)F)n1
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| InChI |
InChI=1S/C17H20F3N5O2/c1-10(2)22-14-8-12(7-13(23-14)17(18,19)20)16-21-9-25(24-16)6-5-15(26)27-11(3)4/h5-11H,1-4H3,(H,22,23)/b6-5-
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| InChIKey |
LJCBFXRJXZKJDB-WAYWQWQTSA-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