General Information of the Compound
| Compound ID |
CP0513847
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| Compound Name |
ethyl 2-methyl-2-[4-(2-oxochromene-3-carbonyl)phenoxy]propanoate
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| Structure |
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| Formula |
C22H20O6
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| Molecular Weight |
380.396
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| Canonical SMILES |
CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C22H20O6/c1-4-26-21(25)22(2,3)28-16-11-9-14(10-12-16)19(23)17-13-15-7-5-6-8-18(15)27-20(17)24/h5-13H,4H2,1-3H3
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| InChIKey |
XIQVIIZQRHAUGW-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma