General Information of the Compound
| Compound ID |
CP0538589
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| Compound Name |
2-[4-[[4-[[3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C28H26ClNO6
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| Molecular Weight |
507.97
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(COc2ccc(OCC(O)=O)cc2)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H26ClNO6/c1-18(2)28-24(27(30-36-28)23-5-3-4-6-25(23)29)16-34-20-9-7-19(8-10-20)15-33-21-11-13-22(14-12-21)35-17-26(31)32/h3-14,18H,15-17H2,1-2H3,(H,31,32)
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| InChIKey |
HLNMYYHETAUQJE-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