General Information of the Compound
| Compound ID |
CP0886558
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| Compound Name |
sodium 4-(4-ethoxyphenoxy)-20-(1-hydroxy-1-methyltridec-2-yn-1-yl)biphenyl-3-sulfonate
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| Structure |
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| Formula |
C36H45NaO5S2
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| Molecular Weight |
644.875
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| Canonical SMILES |
CCCCCCCCCCC#CC(C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)[O-])c1.[Na+]
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| InChI |
InChI=1S/C36H46O5S2.Na/c1-4-6-8-9-10-11-12-13-14-17-26-36(3,37)33-19-16-15-18-32(33)29-20-25-34(35(28-29)43(38,39)40)42-31-23-21-30(22-24-31)41-27-7-5-2;/h15-16,18-25,28,37H,4-14,27H2,1-3H3,(H,38,39,40);/q;+1/p-1
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| InChIKey |
LNWFZUODUVHXNU-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