General Information of the Compound
| Compound ID |
CP0562525
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| Compound Name |
N-[(2-chloro-6-methoxypyridin-4-yl)carbamoyl]-3-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C16H12ClF3N6O3
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| Molecular Weight |
428.758
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| Canonical SMILES |
COc1cc(NC(=O)NC(=O)c2cc(c3c(C)n[nH]c3n2)C(F)(F)F)cc(Cl)n1
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| InChI |
InChI=1S/C16H12ClF3N6O3/c1-6-12-8(16(18,19)20)5-9(22-13(12)26-25-6)14(27)24-15(28)21-7-3-10(17)23-11(4-7)29-2/h3-5H,1-2H3,(H,22,25,26)(H2,21,23,24,27,28)
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| InChIKey |
LLBZFEVWUSLMFI-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