General Information of the Compound
| Compound ID |
CP0875516
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| Compound Name |
sodium 4-[(4-octyloxyphenyl)thio]-20-(1-hydroxytridec-2-yn-1-yl)biphenyl-3-sulfonate
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| Structure |
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| Formula |
C39H51NaO5S2
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| Molecular Weight |
686.956
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| Canonical SMILES |
CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCCCC)cc2)c(S(=O)(=O)[O-])c1.[Na+]
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| InChI |
InChI=1S/C39H52O5S2.Na/c1-3-5-7-9-11-12-13-14-15-17-23-37(40)36-22-19-18-21-35(36)32-24-29-38(39(31-32)46(41,42)43)45-34-27-25-33(26-28-34)44-30-20-16-10-8-6-4-2;/h18-19,21-22,24-29,31,37,40H,3-16,20,30H2,1-2H3,(H,41,42,43);/q;+1/p-1
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| InChIKey |
FOHZZMGBPLVELE-UHFFFAOYSA-M
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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