General Information of the Compound
| Compound ID |
CP0505974
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| Compound Name |
N-[2-chloro-5-[4-(2-methoxyethylamino)quinolin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C23H20ClFN4O3S
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| Molecular Weight |
486.956
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| Canonical SMILES |
COCCNc1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C23H20ClFN4O3S/c1-32-11-10-27-21-8-9-26-20-7-2-15(12-19(20)21)16-13-22(23(24)28-14-16)29-33(30,31)18-5-3-17(25)4-6-18/h2-9,12-14,29H,10-11H2,1H3,(H,26,27)
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| InChIKey |
FQTRTFZRCVMEKM-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