General Information of the Compound
| Compound ID |
CP0252843
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| Compound Name |
N-[2-chloro-5-[3-(2-morpholin-4-ylethylamino)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C25H24ClFN6O3S
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| Molecular Weight |
543.024
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCCN3CCOCC3)nc2c1
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| InChI |
InChI=1S/C25H24ClFN6O3S/c26-25-23(32-37(34,35)20-4-2-19(27)3-5-20)14-18(15-30-25)17-1-6-21-22(13-17)31-24(16-29-21)28-7-8-33-9-11-36-12-10-33/h1-6,13-16,32H,7-12H2,(H,28,31)
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| InChIKey |
DDYGLALBILACTA-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