General Information of the Compound
| Compound ID |
CP0959558
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| Compound Name |
sodium 20-(1-hydroxytridec-2-yn-1-yl)-4-[(4-propoxyphenyl)thio]biphenyl-3-sulfonate
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| Structure |
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| Formula |
C34H41NaO5S2
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| Molecular Weight |
616.821
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| Canonical SMILES |
CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(S(=O)(=O)[O-])c1.[Na+]
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| InChI |
InChI=1S/C34H42O5S2.Na/c1-3-5-6-7-8-9-10-11-12-13-18-32(35)31-17-15-14-16-30(31)27-19-24-33(34(26-27)41(36,37)38)40-29-22-20-28(21-23-29)39-25-4-2;/h14-17,19-24,26,32,35H,3-12,25H2,1-2H3,(H,36,37,38);/q;+1/p-1
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| InChIKey |
FRARGWLQLUYGPY-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