General Information of the Compound
| Compound ID |
CP0389555
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| Compound Name |
(2S)-2-[[4-[2-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]ethyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
CC[C@@H](Cc1ccc(CCc2ccc(cc2OC)N2C(=O)c3ccccc3C2=O)cc1)C(O)=O
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| InChI |
InChI=1S/C28H27NO5/c1-3-20(28(32)33)16-19-10-8-18(9-11-19)12-13-21-14-15-22(17-25(21)34-2)29-26(30)23-6-4-5-7-24(23)27(29)31/h4-11,14-15,17,20H,3,12-13,16H2,1-2H3,(H,32,33)/t20-/m0/s1
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| InChIKey |
CYBICBBHMXTCRI-FQEVSTJZSA-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