General Information of the Compound
| Compound ID |
CP0454495
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| Compound Name |
N-[1-[3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
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| Structure |
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| Formula |
C27H27N3O5
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| Molecular Weight |
473.529
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| Canonical SMILES |
CC(NC(C)=O)c1nc(no1)-c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C27H27N3O5/c1-19(28-20(2)31)27-29-26(30-35-27)21-9-11-22(12-10-21)32-17-6-18-33-23-13-15-25(16-14-23)34-24-7-4-3-5-8-24/h3-5,7-16,19H,6,17-18H2,1-2H3,(H,28,31)
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| InChIKey |
MSMLUWJJPPCLMG-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