General Information of the Compound
| Compound ID |
CP0962709
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| Compound Name |
N-Methyl-3-[4-(morpholin-4-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3ccc4nccc(N5CCOCC5)c4c3)c2c1
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| InChI |
InChI=1S/C22H21N5O2/c1-23-22(28)15-11-16-18(13-26-21(16)25-12-15)14-2-3-19-17(10-14)20(4-5-24-19)27-6-8-29-9-7-27/h2-5,10-13H,6-9H2,1H3,(H,23,28)(H,25,26)
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| InChIKey |
YQGPMPFGHBENNN-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