General Information of the Compound
| Compound ID |
CP0306563
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| Compound Name |
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
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| Structure |
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| Formula |
C21H23ClFN5O
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| Molecular Weight |
415.9
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C21H23ClFN5O/c1-13(18-9-16(23)2-3-19(18)22)29-20-8-14(10-26-21(20)24)15-11-27-28(12-15)17-4-6-25-7-5-17/h2-3,8-13,17,25H,4-7H2,1H3,(H2,24,26)
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| InChIKey |
VRPBEXXAJILOFI-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