General Information of the Compound
| Compound ID |
CP0967052
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| Compound Name |
3-(8-Fluoroquinolin-6-yl)-N-methyl-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C21H17FN4O
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| Molecular Weight |
360.392
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| Canonical SMILES |
C=CCN(C)C(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1
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| InChI |
InChI=1S/C21H17FN4O/c1-3-7-26(2)21(27)15-9-16-17(12-25-20(16)24-11-15)14-8-13-5-4-6-23-19(13)18(22)10-14/h3-6,8-12H,1,7H2,2H3,(H,24,25)
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| InChIKey |
CJXCXSPUKJXTHK-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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B