General Information of the Compound
| Compound ID |
CP0491337
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| Compound Name |
methyl 7-[2-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
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| Structure |
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| Formula |
C24H20F3NO6
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| Molecular Weight |
475.419
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| Canonical SMILES |
COC(=O)C1Cc2ccc(OCCc3nc(oc3C)-c3cccc(c3)C(F)(F)F)cc2OC1=O
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| InChI |
InChI=1S/C24H20F3NO6/c1-13-19(28-21(33-13)15-4-3-5-16(10-15)24(25,26)27)8-9-32-17-7-6-14-11-18(22(29)31-2)23(30)34-20(14)12-17/h3-7,10,12,18H,8-9,11H2,1-2H3
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| InChIKey |
KEJLYINOCVZDJL-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