General Information of the Compound
| Compound ID |
CP0100328
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| Compound Name |
(E)-3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-acrylic acid
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| Structure |
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| Formula |
C29H29NO5
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| Molecular Weight |
471.553
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| Canonical SMILES |
CCCc1c(OCCCCOc2ccc(\C=C\C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C29H29NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-18H,2,6-8,19-20H2,1H3,(H,31,32)/b18-13+
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| InChIKey |
XGUIGUUQJRJNFL-QGOAFFKASA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma