General Information of the Compound
| Compound ID |
CP0948515
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| Compound Name |
2-(4-ethoxyphenoxy)-5-(3-octadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate
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| Structure |
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| Formula |
C34H49N2NaO6S
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| Molecular Weight |
636.831
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)[O-])c2)C(=O)C1.[Na+]
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| InChI |
InChI=1S/C34H50N2O6S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-26-34(37)36(35-28)29-20-25-32(33(27-29)43(38,39)40)42-31-23-21-30(22-24-31)41-4-2;/h20-25,27H,3-19,26H2,1-2H3,(H,38,39,40);/q;+1/p-1
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| InChIKey |
MJTBYOWSBDPDIF-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