General Information of the Compound
| Compound ID |
CP0463948
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| Compound Name |
4-(2,4-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C19H17F2N5O
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| Molecular Weight |
369.375
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(c12)c1ccc(F)cc1F)-c1nc(C)cc(C)n1
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| InChI |
InChI=1S/C19H17F2N5O/c1-9-6-10(2)23-19(22-9)26-18-17(11(3)25-26)14(8-16(27)24-18)13-5-4-12(20)7-15(13)21/h4-7,14H,8H2,1-3H3,(H,24,27)
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| InChIKey |
SURGOAYZCDNZQH-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