General Information of the Compound
| Compound ID |
CP0222355
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| Compound Name |
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C21H13F2N5
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| Molecular Weight |
373.366
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| Canonical SMILES |
Fc1ccc(cc1F)-c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
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| InChI |
InChI=1S/C21H13F2N5/c22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18/h1-10,12H,11H2
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| InChIKey |
QRFFCWZXJYGMRK-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