General Information of the Compound
| Compound ID |
CP0503901
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| Compound Name |
1-benzyl-4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C26H22ClN5O2
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| Molecular Weight |
471.948
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(Cc4ccccc4)ncc3c2Cl)cc1
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| InChI |
InChI=1S/C26H22ClN5O2/c1-16-23(17(2)34-31-16)20-10-8-18(9-11-20)12-29-26(33)22-13-28-25-21(24(22)27)14-30-32(25)15-19-6-4-3-5-7-19/h3-11,13-14H,12,15H2,1-2H3,(H,29,33)
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| InChIKey |
BZHBYFSQXYPLSW-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