General Information of the Compound
| Compound ID |
CP0812288
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| Compound Name |
(-)-S-Sodium 2-{4-[2-(N-Heptyl-N-(benzoxazol-2-yl)aminoethyl)]phenoxy}propanoate
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| Structure |
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| Formula |
C25H31N2NaO4
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| Molecular Weight |
446.523
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| Canonical SMILES |
CCCCCCCN(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1nc2ccccc2o1.[Na+]
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| InChI |
InChI=1S/C25H32N2O4.Na/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29;/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29);/q;+1/p-1/t19-;/m0./s1
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| InChIKey |
UHVQDRJUQKVGRM-FYZYNONXSA-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