General Information of the Compound
| Compound ID |
CP0448920
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| Compound Name |
2-[5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetic acid
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| Structure |
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| Formula |
C27H27NO5
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| Molecular Weight |
445.515
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| Canonical SMILES |
Cc1ccc(COc2cccc(OCCCOc3ccc4[nH]cc(CC(O)=O)c4c3)c2)cc1
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| InChI |
InChI=1S/C27H27NO5/c1-19-6-8-20(9-7-19)18-33-23-5-2-4-22(15-23)31-12-3-13-32-24-10-11-26-25(16-24)21(17-28-26)14-27(29)30/h2,4-11,15-17,28H,3,12-14,18H2,1H3,(H,29,30)
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| InChIKey |
BJCOHSADJVMCQT-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