General Information of the Compound
| Compound ID |
CP0455221
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| Compound Name |
5-(2-amino-4-methoxypyrimidin-5-yl)-2-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
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| Structure |
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| Formula |
C17H13ClF2N4O3S
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| Molecular Weight |
426.832
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| Canonical SMILES |
COc1nc(N)ncc1-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
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| InChI |
InChI=1S/C17H13ClF2N4O3S/c1-27-16-10(8-22-17(21)23-16)9-5-6-11(18)14(7-9)28(25,26)24-13-4-2-3-12(19)15(13)20/h2-8,24H,1H3,(H2,21,22,23)
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| InChIKey |
OPIOWYFBJZWXNE-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform