General Information of the Compound
| Compound ID |
CP0408693
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| Compound Name |
2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propyl)-1H-indol-5-yloxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C35H35NO5
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| Molecular Weight |
549.667
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| Canonical SMILES |
CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
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| InChIKey |
ULGQLBCXKKYQAT-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