General Information of the Compound
| Compound ID |
CP0528425
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| Compound Name |
2-{7-[({7-[(2-carboxyphenyl)sulfamoyl]-5-hydroxynaphthalen-2-yl}carbamoyl)amino]-4-hydroxynaphthalene-2-sulfonamido}benzoic acid
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| Structure |
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| Formula |
C35H26N4O11S2
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| Molecular Weight |
742.744
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| Canonical SMILES |
OC(=O)c1ccccc1NS(=O)(=O)c1cc(O)c2ccc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3ccccc3C(O)=O)cc2c1
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| InChI |
InChI=1S/C35H26N4O11S2/c40-31-17-23(51(47,48)38-29-7-3-1-5-27(29)33(42)43)15-19-13-21(9-11-25(19)31)36-35(46)37-22-10-12-26-20(14-22)16-24(18-32(26)41)52(49,50)39-30-8-4-2-6-28(30)34(44)45/h1-18,38-41H,(H,42,43)(H,44,45)(H2,36,37,46)
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| InChIKey |
HKKAUBGBWODUOE-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