General Information of the Compound
| Compound ID |
CP0436763
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| Compound Name |
2-{4-n-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]phenylmethyl}pentanoic acid
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| Structure |
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| Formula |
C23H25F4NO4
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| Molecular Weight |
455.448
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| Canonical SMILES |
CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C23H25F4NO4/c1-3-4-5-15(22(30)31)10-14-6-9-20(32-2)16(11-14)13-28-21(29)18-8-7-17(12-19(18)24)23(25,26)27/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,28,29)(H,30,31)
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| InChIKey |
JSZKCNGJIUQQQN-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