General Information of the Compound
| Compound ID |
CP0966681
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| Compound Name |
3-{4-[(3R)-3-Aminopiperidin-1-yl]-8-fluoroquinolin-6-yl}-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C23H24ClFN6O
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| Molecular Weight |
454.937
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| Canonical SMILES |
CNC(=O)c1cnc2[nH]cc(-c3cc(F)c4nccc(N5CCC[C@@H](N)C5)c4c3)c2c1.Cl
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| InChI |
InChI=1S/C23H23FN6O.ClH/c1-26-23(31)14-8-16-18(11-29-22(16)28-10-14)13-7-17-20(30-6-2-3-15(25)12-30)4-5-27-21(17)19(24)9-13;/h4-5,7-11,15H,2-3,6,12,25H2,1H3,(H,26,31)(H,28,29);1H/t15-;/m1./s1
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| InChIKey |
OWPVQRHXNGZRDY-XFULWGLBSA-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