General Information of the Compound
| Compound ID |
CP0086694
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| Compound Name |
6-[difluoro-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C20H13F3N6
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| Molecular Weight |
394.36
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(F)c2nnc(n2c1)C(F)(F)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C20H13F3N6/c1-28-10-14(9-25-28)13-8-16(21)18-26-27-19(29(18)11-13)20(22,23)15-4-5-17-12(7-15)3-2-6-24-17/h2-11H,1H3
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| InChIKey |
AZUNFKVFWFSGIH-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