General Information of the Compound
| Compound ID |
CP0520428
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| Compound Name |
N-[1-[3-[4-[3,3-bis(4-bromophenyl)prop-2-enoxy]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
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| Structure |
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| Formula |
C27H23Br2N3O3
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| Molecular Weight |
597.307
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| Canonical SMILES |
CC(NC(C)=O)c1nc(no1)-c1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
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| InChI |
InChI=1S/C27H23Br2N3O3/c1-17(30-18(2)33)27-31-26(32-35-27)21-7-13-24(14-8-21)34-16-15-25(19-3-9-22(28)10-4-19)20-5-11-23(29)12-6-20/h3-15,17H,16H2,1-2H3,(H,30,33)
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| InChIKey |
ADEULUARLQGDFW-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