General Information of the Compound
| Compound ID |
CP0484091
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| Compound Name |
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
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| Structure |
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| Formula |
C22H25ClFN5O2
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| Molecular Weight |
445.926
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| Canonical SMILES |
COc1ccc(F)c(Cl)c1C(C)Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C22H25ClFN5O2/c1-13(20-18(30-2)4-3-17(24)21(20)23)31-19-9-14(10-27-22(19)25)15-11-28-29(12-15)16-5-7-26-8-6-16/h3-4,9-13,16,26H,5-8H2,1-2H3,(H2,25,27)
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| InChIKey |
HRJDJMXORQIFDW-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: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3