General Information of the Compound
| Compound ID |
CP0418534
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| Compound Name |
2-Hydroxy-5-{[(7-{[(7-sulfo(2-naphthyl))amino]carbonylamino}(2-naphthyl))sulfonyl]amino}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)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(O)c(c4)C(O)=O)cc3c2)ccc1O
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| InChI |
InChI=1S/C35H26N4O11S2/c40-31-11-7-25(17-29(31)33(42)43)38-51(47,48)27-9-3-19-1-5-23(13-21(19)15-27)36-35(46)37-24-6-2-20-4-10-28(16-22(20)14-24)52(49,50)39-26-8-12-32(41)30(18-26)34(44)45/h1-18,38-41H,(H,42,43)(H,44,45)(H2,36,37,46)
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| InChIKey |
PBFMJGXKKDPAAX-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