General Information of the Compound
| Compound ID |
CP0387453
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| Compound Name |
N-(2-chloro-5-isoquinolin-6-ylpyridin-3-yl)-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C20H13ClFN3O2S
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| Molecular Weight |
413.861
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2cnccc2c1
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| InChI |
InChI=1S/C20H13ClFN3O2S/c21-20-19(25-28(26,27)18-5-3-17(22)4-6-18)10-16(12-24-20)13-1-2-15-11-23-8-7-14(15)9-13/h1-12,25H
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| InChIKey |
ATODTJKYNOOJGH-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