General Information of the Compound
| Compound ID |
CP0392582
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| Compound Name |
2-[4-[4-[[7-[2-[methyl(methylsulfonyl)amino]phenyl]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 |
C27H31N7O3S
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| Molecular Weight |
533.658
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| Canonical SMILES |
CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12)S(C)(=O)=O
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| InChI |
InChI=1S/C27H31N7O3S/c1-32(38(2,36)37)24-6-4-3-5-23(24)25-12-11-22-17-29-27(31-34(22)25)30-21-9-7-19(8-10-21)20-13-15-33(16-14-20)18-26(28)35/h3-12,17,20H,13-16,18H2,1-2H3,(H2,28,35)(H,30,31)
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| InChIKey |
HEBHVXJRMDQONJ-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