General Information of the Compound
| Compound ID |
CP0553948
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| Compound Name |
6-[(1R)-1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
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| Structure |
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| Formula |
C22H18F2N6O
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| Molecular Weight |
420.423
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| Canonical SMILES |
COc1cnc2ccc(cc2c1)[C@@](C)(F)c1nnc2c(F)cc(cn12)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H18F2N6O/c1-22(24,16-4-5-19-13(6-16)7-17(31-3)10-25-19)21-28-27-20-18(23)8-14(12-30(20)21)15-9-26-29(2)11-15/h4-12H,1-3H3/t22-/m1/s1
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| InChIKey |
GSBJPJUWSGZNCL-JOCHJYFZSA-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