General Information of the Compound
| Compound ID |
CP0158254
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| Compound Name |
ethyl 2-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoate
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| Structure |
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| Formula |
C27H29NO4
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| Molecular Weight |
431.532
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| Canonical SMILES |
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H29NO4/c1-3-22(27(30)31-4-2)18-20-10-14-23(15-11-20)26(29)28-19-21-12-16-25(17-13-21)32-24-8-6-5-7-9-24/h5-17,22H,3-4,18-19H2,1-2H3,(H,28,29)
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| InChIKey |
MJRGFZHRIYKDOQ-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