General Information of the Compound
| Compound ID |
CP0522310
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| Compound Name |
4-chloro-1-ethyl-N-[(3-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C17H17ClN4O
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| Molecular Weight |
328.803
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| Canonical SMILES |
CCn1ncc2c(Cl)c(cnc12)C(=O)NCc1cccc(C)c1
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| InChI |
InChI=1S/C17H17ClN4O/c1-3-22-16-13(10-21-22)15(18)14(9-19-16)17(23)20-8-12-6-4-5-11(2)7-12/h4-7,9-10H,3,8H2,1-2H3,(H,20,23)
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| InChIKey |
UIOJAHOZMAHYAX-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