General Information of the Compound
| Compound ID |
CP0363174
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| Compound Name |
3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
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| Structure |
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| Formula |
C22H26FN5O2
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| Molecular Weight |
411.481
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| Canonical SMILES |
COc1ccc(F)cc1C(C)Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C22H26FN5O2/c1-14(19-10-17(23)3-4-20(19)29-2)30-21-9-15(11-26-22(21)24)16-12-27-28(13-16)18-5-7-25-8-6-18/h3-4,9-14,18,25H,5-8H2,1-2H3,(H2,24,26)
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| InChIKey |
KWESEOYSTBXZIE-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