General Information of the Compound
| Compound ID |
CP0099080
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| Compound Name |
2-(4-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propoxy)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C33H31NO5
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| Molecular Weight |
521.613
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| Canonical SMILES |
CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C33H31NO5/c1-2-8-27-26-15-13-25(33(37)23-9-4-3-5-10-23)21-24(26)14-16-31(27)39-20-7-19-38-30-12-6-11-29-28(30)17-18-34(29)22-32(35)36/h3-6,9-18,21H,2,7-8,19-20,22H2,1H3,(H,35,36)
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| InChIKey |
DEKKPOFNXDYMKA-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