General Information of the Compound
| Compound ID |
CP0378649
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| Compound Name |
(R)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol-3-yl)phenyl-)propanoic Acid
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| Structure |
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| Formula |
C22H25NO4
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| Molecular Weight |
367.445
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| Canonical SMILES |
CCO[C@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O
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| InChI |
InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m1/s1
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| InChIKey |
HAMXNMHJIWXEJM-VGAJERRHSA-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: PT00915, Peroxisome proliferator-activated receptor gamma