General Information of the Compound
| Compound ID |
CP0521025
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| Compound Name |
2-[4-[[4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
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| Structure |
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| Formula |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(COc2ccc(CC(O)=O)cc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H27NO5/c1-19(2)28-25(27(29-34-28)22-6-4-3-5-7-22)18-33-24-14-10-21(11-15-24)17-32-23-12-8-20(9-13-23)16-26(30)31/h3-15,19H,16-18H2,1-2H3,(H,30,31)
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| InChIKey |
PASAUBNAPDAGLV-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