General Information of the Compound
| Compound ID |
CP0578667
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| Compound Name |
5-chloro-N-[4-[(1-ethyl-7,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]-2-methoxybenzenesulfonamide
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| Formula |
C26H24ClN5O4S
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| Molecular Weight |
538.029
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| Canonical SMILES |
CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)nc3cc(C)c(C)cc3n12
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| InChI |
InChI=1S/C26H24ClN5O4S/c1-5-24-29-30-25-26(28-20-12-15(2)16(3)13-21(20)32(24)25)36-19-9-7-18(8-10-19)31-37(33,34)23-14-17(27)6-11-22(23)35-4/h6-14,31H,5H2,1-4H3
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| InChIKey |
RRSGAGAIGGFLOQ-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