General Information of the Compound
| Compound ID |
CP0467658
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| Compound Name |
5-{7-[({7-[(3-carboxy-4-nitrophenyl)sulfamoyl]naphthalen-2-yl}carbamoyl)amino]naphthalene-2-sulfonamido}-2-nitrobenzoic acid
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| Structure |
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| Formula |
C35H24N6O13S2
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| Molecular Weight |
800.74
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| Canonical SMILES |
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(c(c4)C(O)=O)[N+]([O-])=O)cc3c2)ccc1[N+]([O-])=O
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| InChI |
InChI=1S/C35H24N6O13S2/c42-33(43)29-17-25(7-11-31(29)40(47)48)38-55(51,52)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)56(53,54)39-26-8-12-32(41(49)50)30(18-26)34(44)45/h1-18,38-39H,(H,42,43)(H,44,45)(H2,36,37,46)
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| InChIKey |
KGENZBUPAFWAPL-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