General Information of the Compound
| Compound ID |
CP0524468
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| Compound Name |
4-[4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)methoxy]phenyl]butanoic acid
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| Structure |
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| Formula |
C23H25NO4
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| Molecular Weight |
379.456
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H25NO4/c1-16(2)23-20(22(24-28-23)18-8-4-3-5-9-18)15-27-19-13-11-17(12-14-19)7-6-10-21(25)26/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3,(H,25,26)
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| InChIKey |
PNNWIXAODVYPFH-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: PT01286, Bile acid receptor
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta