General Information of the Compound
| Compound ID |
CP0099078
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| Compound Name |
2-(4-(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)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
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| InChI |
InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
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| InChIKey |
PPVXGVGCRLCSQA-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