General Information of the Compound
| Compound ID |
CP0558817
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| Compound Name |
6-[3-(2-chloro-6-methoxypyridin-4-yl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine
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| Structure |
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| Formula |
C19H20ClN7O
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| Molecular Weight |
397.87
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| Canonical SMILES |
COc1cc(cc(Cl)n1)-c1nnc([nH]1)-c1cc(C(C)C)c2c(C)nn(C)c2n1
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| InChI |
InChI=1S/C19H20ClN7O/c1-9(2)12-8-13(21-19-16(12)10(3)26-27(19)4)18-23-17(24-25-18)11-6-14(20)22-15(7-11)28-5/h6-9H,1-5H3,(H,23,24,25)
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| InChIKey |
QDYUYPOIRUOBSD-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