General Information of the Compound
| Compound ID |
CP0398644
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| Compound Name |
2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1-benzofuran-5-carbonitrile
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| Structure |
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| Formula |
C24H21N5O2
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| Molecular Weight |
411.465
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| Canonical SMILES |
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
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| InChI |
InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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| InChIKey |
VKRJEIZKZXYZBP-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: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT05132, Tyrosine-protein kinase JAK3