General Information of the Compound
| Compound ID |
CP0521014
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| Compound Name |
4-[4-[[5-propan-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]butanoic acid
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| Structure |
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| Formula |
C24H24F3NO4
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| Molecular Weight |
447.453
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C24H24F3NO4/c1-15(2)23-19(14-31-17-12-10-16(11-13-17)6-5-9-21(29)30)22(28-32-23)18-7-3-4-8-20(18)24(25,26)27/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H,29,30)
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| InChIKey |
AAUSRTBZEXBPNP-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