General Information of the Compound
| Compound ID |
CP0043445
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| Compound Name |
7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
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| Structure |
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| Formula |
C21H14F3N7O
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| Molecular Weight |
437.385
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| Canonical SMILES |
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
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| InChI |
InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26)
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| InChIKey |
GTZBFNQZVAGCGW-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