General Information of the Compound
| Compound ID |
CP0924815
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| Compound Name |
3-(3-Acetamidoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C25H20N6O2
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| Molecular Weight |
436.475
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| Canonical SMILES |
CC(=O)Nc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1
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| InChI |
InChI=1S/C25H20N6O2/c1-15(32)31-20-8-18-7-17(4-5-23(18)27-13-20)22-14-29-24-21(22)9-19(12-28-24)25(33)30-11-16-3-2-6-26-10-16/h2-10,12-14H,11H2,1H3,(H,28,29)(H,30,33)(H,31,32)
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| InChIKey |
JJPSDVXWXVTLCG-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