General Information of the Compound
| Compound ID |
CP0499774
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| Compound Name |
2-bromo-4,5-dimethoxy-N-[3-(2-morpholin-4-ylethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H24BrF3N2O6S
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| Molecular Weight |
569.396
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| Canonical SMILES |
COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(OCCN2CCOCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H24BrF3N2O6S/c1-30-18-12-16(22)20(13-19(18)31-2)34(28,29)26-14-3-4-15(21(23,24)25)17(11-14)33-10-7-27-5-8-32-9-6-27/h3-4,11-13,26H,5-10H2,1-2H3
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| InChIKey |
ODXBMOBSHUFPEA-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