General Information of the Compound
| Compound ID |
CP0089010
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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]-3-methoxyquinoline
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| Structure |
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| Formula |
C21H15F3N6O
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| Molecular Weight |
424.386
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| Canonical SMILES |
COc1cnc2ccc(cc2c1)C(F)(F)c1nnc2c(F)cc(cn12)-c1cnn(C)c1
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| InChI |
InChI=1S/C21H15F3N6O/c1-29-10-14(8-26-29)13-7-17(22)19-27-28-20(30(19)11-13)21(23,24)15-3-4-18-12(5-15)6-16(31-2)9-25-18/h3-11H,1-2H3
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| InChIKey |
IWKHVILIVVOFFJ-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