General Information of the Compound
| Compound ID |
CP0962470
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| Compound Name |
3-{4-[(3R)-3-Aminopiperidin-1-yl]-8-fluoroquinolin-6-yl}-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H27ClFN7O
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| Molecular Weight |
532.023
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| Canonical SMILES |
Cl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)C1
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| InChI |
InChI=1S/C28H26FN7O.ClH/c29-24-11-18(9-22-25(5-7-32-26(22)24)36-8-2-4-20(30)16-36)23-15-34-27-21(23)10-19(14-33-27)28(37)35-13-17-3-1-6-31-12-17;/h1,3,5-7,9-12,14-15,20H,2,4,8,13,16,30H2,(H,33,34)(H,35,37);1H/t20-;/m1./s1
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| InChIKey |
ZPGZLXRLMOJWRQ-VEIFNGETSA-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