General Information of the Compound
| Compound ID |
CP0181862
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| Compound Name |
5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C22H15F2N5O2
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| Molecular Weight |
419.391
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| Canonical SMILES |
COc1cnc2ccc(Cn3nnc4ccn(-c5cc(F)cc(F)c5)c(=O)c34)cc2c1
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| InChI |
InChI=1S/C22H15F2N5O2/c1-31-18-7-14-6-13(2-3-19(14)25-11-18)12-29-21-20(26-27-29)4-5-28(22(21)30)17-9-15(23)8-16(24)10-17/h2-11H,12H2,1H3
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| InChIKey |
JMZOGNSTUZDDRE-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