General Information of the Compound
| Compound ID |
CP0916703
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| Compound Name |
3-{[(7-{[(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 |
C33H24N4Na2O11S4
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| Molecular Weight |
826.82
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| Canonical SMILES |
O=C(Nc1ccc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]
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| InChI |
InChI=1S/C33H26N4O11S4.2Na/c38-33(34-25-11-7-21-9-13-29(17-23(21)15-25)49(39,40)36-27-3-1-5-31(19-27)51(43,44)45)35-26-12-8-22-10-14-30(18-24(22)16-26)50(41,42)37-28-4-2-6-32(20-28)52(46,47)48;;/h1-20,36-37H,(H2,34,35,38)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2
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| InChIKey |
PMRBGUDTVXLUJJ-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