General Information of the Compound
| Compound ID |
CP0176665
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| Compound Name |
5-chloro-N-[4-[(7,8-difluoro-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
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| Formula |
C25H20ClF2N5O4S
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| Molecular Weight |
559.982
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| Canonical SMILES |
CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(F)c(F)cc3n12
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| InChI |
InChI=1S/C25H20ClF2N5O4S/c1-3-4-23-30-31-24-25(29-19-12-17(27)18(28)13-20(19)33(23)24)37-16-8-6-15(7-9-16)32-38(34,35)22-11-14(26)5-10-21(22)36-2/h5-13,32H,3-4H2,1-2H3
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| InChIKey |
OARFNQIGDBYDIP-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