General Information of the Compound
| Compound ID |
CP0870243
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| Compound Name |
N-Methyl-3-[4-(morpholin-4-yl)-3-[(oxan-4-ylmethyl)amino]quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3ccc4ncc(NCC5CCOCC5)c(N5CCOCC5)c4c3)c2c1
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| InChI |
InChI=1S/C28H32N6O3/c1-29-28(35)20-13-21-23(16-33-27(21)32-15-20)19-2-3-24-22(12-19)26(34-6-10-37-11-7-34)25(17-31-24)30-14-18-4-8-36-9-5-18/h2-3,12-13,15-18,30H,4-11,14H2,1H3,(H,29,35)(H,32,33)
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| InChIKey |
DQLFKIRERQCHLL-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