General Information of the Compound
| Compound ID |
CP0498659
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| Compound Name |
7,7'-(4,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))bis(azanediyl)bis(oxomethylene)bis(8-hydroxyquinoline-5-sulfonic acid)
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| Structure |
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| Formula |
C34H24N4O16S4
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| Molecular Weight |
872.846
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| Canonical SMILES |
Oc1c(cc(c2cccnc12)S(O)(=O)=O)C(=O)Nc1ccc(\C=C\c2ccc(NC(=O)c3cc(c4cccnc4c3O)S(O)(=O)=O)cc2S(O)(=O)=O)c(c1)S(O)(=O)=O
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| InChI |
InChI=1S/C34H24N4O16S4/c39-31-23(15-27(57(49,50)51)21-3-1-11-35-29(21)31)33(41)37-19-9-7-17(25(13-19)55(43,44)45)5-6-18-8-10-20(14-26(18)56(46,47)48)38-34(42)24-16-28(58(52,53)54)22-4-2-12-36-30(22)32(24)40/h1-16,39-40H,(H,37,41)(H,38,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b6-5+
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| InChIKey |
NNHYHQPZMITHQP-AATRIKPKSA-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