General Information of the Compound
| Compound ID |
CP0531398
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| Compound Name |
5-chloro-N-[4-[(7,8-difluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
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| Formula |
C22H14ClF2N5O4S
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| Molecular Weight |
517.901
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| Canonical SMILES |
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3cc(F)c(F)cc3n3cnnc23)cc1
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| InChI |
InChI=1S/C22H14ClF2N5O4S/c1-33-19-7-2-12(23)8-20(19)35(31,32)29-13-3-5-14(6-4-13)34-22-21-28-26-11-30(21)18-10-16(25)15(24)9-17(18)27-22/h2-11,29H,1H3
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| InChIKey |
NYUGDYTWGIYGOI-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