General Information of the Compound
| Compound ID |
CP0033595
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| Compound Name |
N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C20H20FN5O6S
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| Molecular Weight |
477.474
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| Canonical SMILES |
CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12
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| InChI |
InChI=1S/C20H20FN5O6S/c1-22-14-9-11(21)8-13-16(14)24-20(30)15(17(13)27)19(29)23-12-6-4-10(5-7-12)18(28)25-33(31,32)26(2)3/h4-9,22H,1-3H3,(H,23,29)(H,25,28)(H2,24,27,30)
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| InChIKey |
LKBSRDKXQBJKNA-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