General Information of the Compound
| Compound ID |
CP0431313
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| Compound Name |
N-[2-chloro-5-[3-(2-methoxyethylamino)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H19ClFN5O3S
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| Molecular Weight |
487.944
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| Canonical SMILES |
COCCNc1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C22H19ClFN5O3S/c1-32-9-8-25-21-13-26-18-7-2-14(10-19(18)28-21)15-11-20(22(23)27-12-15)29-33(30,31)17-5-3-16(24)4-6-17/h2-7,10-13,29H,8-9H2,1H3,(H,25,28)
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| InChIKey |
CCTIPTYZBUJCCE-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