General Information of the Compound
| Compound ID |
CP0868250
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| Compound Name |
disodium 3-{N-methyl7-[({7-[methyl(3-sulfonatophenyl)sulfamoyl]naphthalen-2-yl}carbamoyl)amino]naphthalene-2-sulfonamido}benzene-1-sulfonate
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| Structure |
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| Formula |
C35H28N4Na2O11S4
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| Molecular Weight |
854.874
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| Canonical SMILES |
CN(c1cccc(S(=O)(=O)[O-])c1)S(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(S(=O)(=O)N(C)c5cccc(S(=O)(=O)[O-])c5)cc4c3)cc2c1.[Na+].[Na+]
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| InChI |
InChI=1S/C35H30N4O11S4.2Na/c1-38(29-5-3-7-33(21-29)53(45,46)47)51(41,42)31-15-11-23-9-13-27(17-25(23)19-31)36-35(40)37-28-14-10-24-12-16-32(20-26(24)18-28)52(43,44)39(2)30-6-4-8-34(22-30)54(48,49)50;;/h3-22H,1-2H3,(H2,36,37,40)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
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| InChIKey |
SOHNDRMPSYAPIF-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