General Information of the Compound
| Compound ID |
CP0762060
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| Compound Name |
3-{[(4-Hydroxy-7-{[(5-hydroxy-7-{[(3-sulfophenyl)amino]sulfonyl}(2-naphthyl))amino]carbonylamino}-2-naphthyl)sulfonyl]-amino}benzenesulfonic Acid, Disodium Salt
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| Structure |
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| Formula |
C33H24N4Na2O13S4
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| Molecular Weight |
858.818
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| Canonical SMILES |
O=C(Nc1ccc2c(O)cc(S(=O)(=O)Nc3cccc(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3cccc(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]
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| InChI |
InChI=1S/C33H26N4O13S4.2Na/c38-31-17-27(51(41,42)36-23-3-1-5-25(15-23)53(45,46)47)13-19-11-21(7-9-29(19)31)34-33(40)35-22-8-10-30-20(12-22)14-28(18-32(30)39)52(43,44)37-24-4-2-6-26(16-24)54(48,49)50;;/h1-18,36-39H,(H2,34,35,40)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
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| InChIKey |
WBLMPLZMAAFBGA-UHFFFAOYSA-L
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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