General Information of the Compound
| Compound ID |
CP0454945
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| Compound Name |
2-[4-[4-[[7-(3-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C25H27N7O2
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| Molecular Weight |
457.538
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| Canonical SMILES |
COc1cccnc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
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| InChI |
InChI=1S/C25H27N7O2/c1-34-22-3-2-12-27-24(22)21-9-8-20-15-28-25(30-32(20)21)29-19-6-4-17(5-7-19)18-10-13-31(14-11-18)16-23(26)33/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H2,26,33)(H,29,30)
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| InChIKey |
SYEQKNIMSSBEHO-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: PT01141, Focal adhesion kinase 1
Protein ID: PT01214, Tyrosine-protein kinase JAK2