General Information of the Compound
| Compound ID |
CP0495442
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| Compound Name |
N-[2-chloro-5-[3-(2-phenylethylamino)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C27H21ClFN5O2S
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| Molecular Weight |
534.016
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCCc3ccccc3)nc2c1
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| InChI |
InChI=1S/C27H21ClFN5O2S/c28-27-25(34-37(35,36)22-9-7-21(29)8-10-22)15-20(16-32-27)19-6-11-23-24(14-19)33-26(17-31-23)30-13-12-18-4-2-1-3-5-18/h1-11,14-17,34H,12-13H2,(H,30,33)
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| InChIKey |
NISINSDPCKGKBV-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