General Information of the Compound
| Compound ID |
CP0431312
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| Compound Name |
N-[2-chloro-5-[3-(dimethylamino)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C21H17ClFN5O2S
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| Molecular Weight |
457.918
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| Canonical SMILES |
CN(C)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C21H17ClFN5O2S/c1-28(2)20-12-24-17-8-3-13(9-18(17)26-20)14-10-19(21(22)25-11-14)27-31(29,30)16-6-4-15(23)5-7-16/h3-12,27H,1-2H3
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| InChIKey |
SFNZMGFKQRJYOV-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