General Information of the Compound
| Compound ID |
CP0451214
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| Compound Name |
2-bromo-N-[3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
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| Structure |
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| Formula |
C19H22BrF3N2O5S
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| Molecular Weight |
527.359
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| Canonical SMILES |
COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(OCCN(C)C)c1)C(F)(F)F
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| InChI |
InChI=1S/C19H22BrF3N2O5S/c1-25(2)7-8-30-15-9-12(5-6-13(15)19(21,22)23)24-31(26,27)18-11-17(29-4)16(28-3)10-14(18)20/h5-6,9-11,24H,7-8H2,1-4H3
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| InChIKey |
OCAFNWMBFRIQMJ-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