General Information of the Compound
| Compound ID |
CP0959636
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| Compound Name |
Benzyl({3-[8-fluoro-4-(pyridin-3-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}methyl)amine
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| Structure |
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| Formula |
C29H22FN5
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| Molecular Weight |
459.528
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| Canonical SMILES |
Fc1cc(-c2c[nH]c3ncc(CNCc4ccccc4)cc23)cc2c(-c3cccnc3)ccnc12
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| InChI |
InChI=1S/C29H22FN5/c30-27-13-22(12-24-23(8-10-33-28(24)27)21-7-4-9-31-17-21)26-18-35-29-25(26)11-20(16-34-29)15-32-14-19-5-2-1-3-6-19/h1-13,16-18,32H,14-15H2,(H,34,35)
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| InChIKey |
YYHBOMHLEMTEKC-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