General Information of the Compound
| Compound ID |
CP0089009
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| Compound Name |
5-[3-[difluoro-(3-methoxyquinolin-6-yl)methyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole
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| Structure |
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| Formula |
C21H14F3N5O2
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| Molecular Weight |
425.37
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| Canonical SMILES |
COc1cnc2ccc(cc2c1)C(F)(F)c1nnc2c(F)cc(cn12)-c1cc(C)no1
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| InChI |
InChI=1S/C21H14F3N5O2/c1-11-5-18(31-28-11)13-8-16(22)19-26-27-20(29(19)10-13)21(23,24)14-3-4-17-12(6-14)7-15(30-2)9-25-17/h3-10H,1-2H3
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| InChIKey |
WTKKFHIXNHMTGS-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