General Information of the Compound
| Compound ID |
CP0086888
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| Compound Name |
phenoxyacetic acid-ether, 18
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| Structure |
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| Formula |
C30H32F3NO5S
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| Molecular Weight |
575.649
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| Canonical SMILES |
Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCCN2CCCC2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C30H32F3NO5S/c1-20-21(2)27(12-10-25(20)39-19-29(35)36)40-28-11-5-22(17-26(28)37-16-15-34-13-3-4-14-34)18-38-24-8-6-23(7-9-24)30(31,32)33/h5-12,17H,3-4,13-16,18-19H2,1-2H3,(H,35,36)
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| InChIKey |
ATOGFGNRPUMKBP-UHFFFAOYSA-N
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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