General Information of the Compound
| Compound ID |
CP0955446
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| Compound Name |
sodium 4-[(4-butoxyphenyl)thio]-20-[1-hydroxy-4-[(5-hydroxynonyl)oxy]but-2-yn-1-yl]biphenyl-3-sulfonate
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| Structure |
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| Formula |
C35H43NaO7S2
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| Molecular Weight |
662.846
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| Canonical SMILES |
CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCO)cc2S(=O)(=O)[O-])cc1.[Na+]
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| InChI |
InChI=1S/C35H44O7S2.Na/c1-2-3-26-42-29-18-20-30(21-19-29)43-34-22-17-28(27-35(34)44(38,39)40)31-14-9-10-15-32(31)33(37)16-13-25-41-24-12-8-6-4-5-7-11-23-36;/h9-10,14-15,17-22,27,33,36-37H,2-8,11-12,23-26H2,1H3,(H,38,39,40);/q;+1/p-1
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| InChIKey |
IAKOWKRGWNNHRN-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