General Information of the Compound
| Compound ID |
CP0963855
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| Compound Name |
(Z)-pyridin-2-ylmethyl 3-(3-(2-isopropoxy-6-(trifluoromethyl)pyridin-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C20H18F3N5O3
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| Molecular Weight |
433.39
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| Canonical SMILES |
CC(C)Oc1cc(-c2ncn(/C=C\C(=O)OCc3ccccn3)n2)cc(C(F)(F)F)n1
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| InChI |
InChI=1S/C20H18F3N5O3/c1-13(2)31-17-10-14(9-16(26-17)20(21,22)23)19-25-12-28(27-19)8-6-18(29)30-11-15-5-3-4-7-24-15/h3-10,12-13H,11H2,1-2H3/b8-6-
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| InChIKey |
RDCUMSWBRMGXEE-VURMDHGXSA-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