General Information of the Compound
| Compound ID |
CP0911262
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| Compound Name |
3-(3-{[(3-Chlorophenyl)methyl]amino}-4-(morpholin-4-yl)quinolin-6-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C29H27ClN6O2
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| Molecular Weight |
527.028
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NCc5cccc(Cl)c5)c(N5CCOCC5)c4c3)c2c1
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| InChI |
InChI=1S/C29H27ClN6O2/c1-31-29(37)20-13-22-24(16-35-28(22)34-15-20)19-5-6-25-23(12-19)27(36-7-9-38-10-8-36)26(17-33-25)32-14-18-3-2-4-21(30)11-18/h2-6,11-13,15-17,32H,7-10,14H2,1H3,(H,31,37)(H,34,35)
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| InChIKey |
JXTXCAOSUZVJRN-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