General Information of the Compound
| Compound ID |
CP0229574
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| Compound Name |
4,6-dimethyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
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| Structure |
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| Formula |
C14H13N3O
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| Molecular Weight |
239.278
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| Canonical SMILES |
Cc1cc(C)c2c(n1)[nH]n(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C14H13N3O/c1-9-8-10(2)15-13-12(9)14(18)17(16-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16)
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| InChIKey |
AIVMGHCZMXTOIM-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
Protein ID: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase