General Information of the Compound
| Compound ID |
CP0442661
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| Compound Name |
(S)-2-Ethoxy-3-(3-(5-(4-(tert-butylphenyl)-4,5-dihydroisoxazol-3-yl)phenyl)propanoic Acid
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| Structure |
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| Formula |
C24H29NO4
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| Molecular Weight |
395.499
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| Canonical SMILES |
CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(cc1)C(C)(C)C)C(O)=O
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| InChI |
InChI=1S/C24H29NO4/c1-5-28-22(23(26)27)14-16-7-6-8-18(13-16)20-15-21(29-25-20)17-9-11-19(12-10-17)24(2,3)4/h6-13,21-22H,5,14-15H2,1-4H3,(H,26,27)/t21?,22-/m0/s1
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| InChIKey |
MNWORBKQJXPNSN-KEKNWZKVSA-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