General Information of the Compound
| Compound ID |
CP0956133
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| Compound Name |
N-(3-Aminopropyl)-3-[8-fluoro-4-(pyridin-3-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C25H22ClFN6O
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| Molecular Weight |
476.943
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| Canonical SMILES |
Cl.NCCCNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1
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| InChI |
InChI=1S/C25H21FN6O.ClH/c26-22-11-16(9-19-18(4-8-29-23(19)22)15-3-1-6-28-12-15)21-14-32-24-20(21)10-17(13-31-24)25(33)30-7-2-5-27;/h1,3-4,6,8-14H,2,5,7,27H2,(H,30,33)(H,31,32);1H
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| InChIKey |
IEYDHHFHEKZAMM-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