General Information of the Compound
| Compound ID |
CP0389162
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| Compound Name |
6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl)phenoxy)-2,2-dimethylhexanoic acid
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| Structure |
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| Formula |
C27H31NO5
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| Molecular Weight |
449.547
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| Canonical SMILES |
CN(Cc1ccccc1OCCCCC(C)(C)C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
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| InChI |
InChI=1S/C27H31NO5/c1-27(2,26(30)31)16-6-7-17-32-24-10-5-4-9-22(24)19-28(3)25(29)21-14-12-20(13-15-21)23-11-8-18-33-23/h4-5,8-15,18H,6-7,16-17,19H2,1-3H3,(H,30,31)
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| InChIKey |
RDTZXAYSBVNVKN-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