General Information of the Compound
| Compound ID |
CP0372723
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| Compound Name |
2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-ethoxyphenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C31H39NO4
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| Molecular Weight |
489.656
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| Canonical SMILES |
CCOc1ccc(CC(CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C31H39NO4/c1-3-24(30(34)35)14-20-5-10-28(36-4-2)26(15-20)19-32-29(33)25-6-8-27(9-7-25)31-16-21-11-22(17-31)13-23(12-21)18-31/h5-10,15,21-24H,3-4,11-14,16-19H2,1-2H3,(H,32,33)(H,34,35)
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| InChIKey |
CGKNAWYMNWZFFL-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