General Information of the Compound
| Compound ID |
CP0454439
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| Compound Name |
[4-[2-[4-[5-(1-acetamidoethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]phenyl] methanesulfonate
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| Structure |
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| Formula |
C21H23N3O6S
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| Molecular Weight |
445.497
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| Canonical SMILES |
CC(NC(C)=O)c1nc(no1)-c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1
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| InChI |
InChI=1S/C21H23N3O6S/c1-14(22-15(2)25)21-23-20(24-29-21)17-6-10-18(11-7-17)28-13-12-16-4-8-19(9-5-16)30-31(3,26)27/h4-11,14H,12-13H2,1-3H3,(H,22,25)
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| InChIKey |
AJOXZBPTWFVRTQ-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