General Information of the Compound
| Compound ID |
CP0902138
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| Compound Name |
4-hydroxy-7-(3-(5-hydroxy-6-((2-methoxyphenyl)diazenyl)-7-sulfonaphthalen-2-yl)ureido)-3-((2-methyl-4-sulfophenyl)diazenyl)naphthalene-2-sulfonic acid
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| Formula |
C35H28N6O13S3
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| Molecular Weight |
836.839
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| Canonical SMILES |
COc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(/N=N/c5ccc(S(=O)(=O)O)cc5C)c(S(=O)(=O)O)cc4c3)ccc2c1O
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| InChI |
InChI=1S/C35H28N6O13S3/c1-18-13-23(55(45,46)47)9-12-26(18)38-40-31-29(56(48,49)50)16-19-14-21(7-10-24(19)33(31)42)36-35(44)37-22-8-11-25-20(15-22)17-30(57(51,52)53)32(34(25)43)41-39-27-5-3-4-6-28(27)54-2/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b40-38+,41-39+
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| InChIKey |
RQOXTBNOVJMAHF-QYGUTFKISA-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