General Information of the Compound
| Compound ID |
CP0956135
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| Compound Name |
({3-[8-Fluoro-4-(pyridin-3-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}methyl)(methyl)(prop-2-en-1-yl)amine
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| Structure |
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| Formula |
C26H22FN5
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| Molecular Weight |
423.495
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| Canonical SMILES |
C=CCN(C)Cc1cnc2[nH]cc(-c3cc(F)c4nccc(-c5cccnc5)c4c3)c2c1
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| InChI |
InChI=1S/C26H22FN5/c1-3-9-32(2)16-17-10-22-23(15-31-26(22)30-13-17)19-11-21-20(18-5-4-7-28-14-18)6-8-29-25(21)24(27)12-19/h3-8,10-15H,1,9,16H2,2H3,(H,30,31)
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| InChIKey |
XQDNTNIXFQRANK-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