General Information of the Compound
| Compound ID |
CP0432204
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| Compound Name |
2-bromo-4,5-dimethoxy-N-[3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-(trifluoromethyl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H27BrF3N3O5S
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| Molecular Weight |
582.439
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| Canonical SMILES |
COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(OCCN2CCN(C)CC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H27BrF3N3O5S/c1-28-6-8-29(9-7-28)10-11-34-18-12-15(4-5-16(18)22(24,25)26)27-35(30,31)21-14-20(33-3)19(32-2)13-17(21)23/h4-5,12-14,27H,6-11H2,1-3H3
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| InChIKey |
QHYQKQSJMGRGDT-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