General Information of the Compound
| Compound ID |
CP0500800
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| Compound Name |
ethyl 4-benzamido-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C18H18N4O3
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| Molecular Weight |
338.367
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| Canonical SMILES |
CCOC(=O)c1cnc2n(CC)ncc2c1NC(=O)c1ccccc1
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| InChI |
InChI=1S/C18H18N4O3/c1-3-22-16-13(11-20-22)15(14(10-19-16)18(24)25-4-2)21-17(23)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,19,21,23)
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| InChIKey |
FPAVWNWFHGVONL-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