General Information of the Compound
| Compound ID |
CP0194328
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| Compound Name |
2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C30H25NO5
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| Molecular Weight |
479.532
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| Canonical SMILES |
OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
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| InChI |
InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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| InChIKey |
OQVNJRQZIUNACE-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