General Information of the Compound
| Compound ID |
CP0378651
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| Compound Name |
(S)-2-Ethoxy-3-(3-(5-(4-methanesulfonyloxyphenyl)-4,5-dihydroisoxazol-3-yl)phenyl)propanoic Acid
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| Structure |
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| Formula |
C21H23NO7S
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| Molecular Weight |
433.482
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| Canonical SMILES |
CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OS(C)(=O)=O)cc1)C(O)=O
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| InChI |
InChI=1S/C21H23NO7S/c1-3-27-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(28-22-18)15-7-9-17(10-8-15)29-30(2,25)26/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/m0/s1
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| InChIKey |
JNPBOHQFVOEQCH-ANYOKISRSA-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