General Information of the Compound
| Compound ID |
CP0354029
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| Compound Name |
3-[1-(2,6-dichloro-3-fluorophenyl)propoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
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| Structure |
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| Formula |
C22H24Cl2FN5O
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| Molecular Weight |
464.372
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| Canonical SMILES |
CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)
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| InChIKey |
NVYSKMXHCGBBQU-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: PT02328, Mitogen-activated protein kinase kinase kinase kinase 3
Protein ID: PT01214, Tyrosine-protein kinase JAK2