General Information of the Compound
| Compound ID |
CP0568667
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| Compound Name |
5-[4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)methoxy]phenyl]pentanoic acid
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(CCCCC(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C24H27NO4/c1-17(2)24-21(23(25-29-24)19-9-4-3-5-10-19)16-28-20-14-12-18(13-15-20)8-6-7-11-22(26)27/h3-5,9-10,12-15,17H,6-8,11,16H2,1-2H3,(H,26,27)
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| InChIKey |
NGLLVJZQEOJRRW-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