General Information of the Compound
| Compound ID |
CP0961940
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| Compound Name |
N-(3-Aminopropyl)-3-(8-fluoroquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C20H19ClFN5O
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| Molecular Weight |
399.857
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| Canonical SMILES |
Cl.NCCCNC(=O)c1cnc2[nH]cc(-c3cc(F)c4ncccc4c3)c2c1
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| InChI |
InChI=1S/C20H18FN5O.ClH/c21-17-9-13(7-12-3-1-5-23-18(12)17)16-11-26-19-15(16)8-14(10-25-19)20(27)24-6-2-4-22;/h1,3,5,7-11H,2,4,6,22H2,(H,24,27)(H,25,26);1H
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| InChIKey |
XKYCTSHCXRBBDN-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