General Information of the Compound
| Compound ID |
CP0412238
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| Compound Name |
2-(3-(3-(2-(4-methoxybenzoyl)-1H-pyrrol-1-yl)prop-1-enyl)phenyl)acetic acid
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| Structure |
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| Formula |
C23H21NO4
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| Molecular Weight |
375.424
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cccn1C\C=C\c1cccc(CC(O)=O)c1
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| InChI |
InChI=1S/C23H21NO4/c1-28-20-11-9-19(10-12-20)23(27)21-8-4-14-24(21)13-3-7-17-5-2-6-18(15-17)16-22(25)26/h2-12,14-15H,13,16H2,1H3,(H,25,26)/b7-3+
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| InChIKey |
PNYLWCJKWHGREU-XVNBXDOJSA-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