General Information of the Compound
| Compound ID |
CP0842871
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| Compound Name |
Sodium 2-{4-[2-(N-Heptyl-N-(benzoxazol-2-yl)amino-ethyl)]-phenoxy}ethanoate
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| Structure |
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| Formula |
C24H29N2NaO4
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| Molecular Weight |
432.496
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| Canonical SMILES |
CCCCCCCN(CCc1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1.[Na+]
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| InChI |
InChI=1S/C24H30N2O4.Na/c1-2-3-4-5-8-16-26(24-25-21-9-6-7-10-22(21)30-24)17-15-19-11-13-20(14-12-19)29-18-23(27)28;/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,27,28);/q;+1/p-1
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| InChIKey |
JLNJTZNPYKJRPB-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma