General Information of the Compound
| Compound ID |
CP0438028
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| Compound Name |
4-methoxy-3-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C20H22F3N3O5S
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| Molecular Weight |
473.473
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C20H22F3N3O5S/c1-25-7-9-26(10-8-25)16-5-4-14(20(21,22)23)12-15(16)24-32(29,30)18-11-13(19(27)28)3-6-17(18)31-2/h3-6,11-12,24H,7-10H2,1-2H3,(H,27,28)
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| InChIKey |
XFDSGNPQDSSLBH-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