General Information of the Compound
| Compound ID |
CP0413764
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| Compound Name |
3-amino-6-[4-chloro-3-[(3-methylphenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H18ClN5O3S
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| Molecular Weight |
431.905
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| Canonical SMILES |
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(C)c1
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| InChI |
InChI=1S/C19H18ClN5O3S/c1-11-4-3-5-13(8-11)25-29(27,28)16-9-12(6-7-14(16)20)15-10-23-18(21)17(24-15)19(26)22-2/h3-10,25H,1-2H3,(H2,21,23)(H,22,26)
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| InChIKey |
FIWUANPUEQNRJI-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