General Information of the Compound
| Compound ID |
CP0562071
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| Compound Name |
5-chloro-N-[4-[(7,8-dimethyl-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
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| Formula |
C27H26ClN5O4S
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| Molecular Weight |
552.056
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| Canonical SMILES |
CCCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12
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| InChI |
InChI=1S/C27H26ClN5O4S/c1-5-6-25-30-31-26-27(29-21-13-16(2)17(3)14-22(21)33(25)26)37-20-10-8-19(9-11-20)32-38(34,35)24-15-18(28)7-12-23(24)36-4/h7-15,32H,5-6H2,1-4H3
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| InChIKey |
QALCGQUMECIAMX-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