General Information of the Compound
| Compound ID |
CP0223551
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| Compound Name |
2-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
CCC(Cc1ccc(cc1)C(=O)NCc1ccc(Oc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C25H25NO4/c1-2-20(25(28)29)16-18-8-12-21(13-9-18)24(27)26-17-19-10-14-23(15-11-19)30-22-6-4-3-5-7-22/h3-15,20H,2,16-17H2,1H3,(H,26,27)(H,28,29)
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| InChIKey |
UBDKILMGVHORMH-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: PT00915, Peroxisome proliferator-activated receptor gamma