General Information of the Compound
| Compound ID |
CP0556645
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| Compound Name |
N-[(2-chloro-6-methoxypyridin-4-yl)carbamoyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C17H14ClF3N6O3
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| Molecular Weight |
442.785
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| Canonical SMILES |
COc1cc(NC(=O)NC(=O)c2cc(c3c(C)nn(C)c3n2)C(F)(F)F)cc(Cl)n1
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| InChI |
InChI=1S/C17H14ClF3N6O3/c1-7-13-9(17(19,20)21)6-10(23-14(13)27(2)26-7)15(28)25-16(29)22-8-4-11(18)24-12(5-8)30-3/h4-6H,1-3H3,(H2,22,24,25,28,29)
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| InChIKey |
GLYGFPSBMIXFLV-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