General Information of the Compound
| Compound ID |
CP0391780
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| Compound Name |
2-[4-[4-[[7-[2-[methyl(methylsulfonyl)amino]pyridin-3-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 |
C26H30N8O3S
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| Molecular Weight |
534.646
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| Canonical SMILES |
CN(c1ncccc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12)S(C)(=O)=O
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| InChI |
InChI=1S/C26H30N8O3S/c1-32(38(2,36)37)25-22(4-3-13-28-25)23-10-9-21-16-29-26(31-34(21)23)30-20-7-5-18(6-8-20)19-11-14-33(15-12-19)17-24(27)35/h3-10,13,16,19H,11-12,14-15,17H2,1-2H3,(H2,27,35)(H,30,31)
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| InChIKey |
JKNCXKNOUNKWSO-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