General Information of the Compound
| Compound ID |
CP0415596
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| Compound Name |
6-(2,5-dimethylfuran-3-yl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
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| Structure |
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| Formula |
C18H15N3O2
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| Molecular Weight |
305.337
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| Canonical SMILES |
Cc1cc(c(C)o1)-c1ccc2c(n1)[nH]n(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C18H15N3O2/c1-11-10-15(12(2)23-11)16-9-8-14-17(19-16)20-21(18(14)22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)
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| InChIKey |
BHJCGOXOUGUHEX-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