General Information of the Compound
| Compound ID |
CP0427666
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| Compound Name |
N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C25H23ClFN5O3S
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| Molecular Weight |
528.009
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| Canonical SMILES |
COC1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C25H23ClFN5O3S/c1-35-19-8-10-32(11-9-19)24-15-28-21-7-2-16(12-22(21)30-24)17-13-23(25(26)29-14-17)31-36(33,34)20-5-3-18(27)4-6-20/h2-7,12-15,19,31H,8-11H2,1H3
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| InChIKey |
AKUBJNKMQOIYPV-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