General Information of the Compound
| Compound ID |
CP0387527
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| Compound Name |
methyl 7-[2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate
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| Structure |
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| Formula |
C27H27NO6
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| Molecular Weight |
461.514
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| Canonical SMILES |
COC(=O)c1cc2ccc(OCCc3nc(oc3C)-c3ccc(cc3)C(C)(C)C)cc2oc1=O
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| InChI |
InChI=1S/C27H27NO6/c1-16-22(28-24(33-16)17-6-9-19(10-7-17)27(2,3)4)12-13-32-20-11-8-18-14-21(25(29)31-5)26(30)34-23(18)15-20/h6-11,14-15H,12-13H2,1-5H3
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| InChIKey |
CZWVOYZQAGCEKA-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