General Information of the Compound
| Compound ID |
CP0101191
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| Compound Name |
methyl 2-[4-[[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]phenyl]acetate
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| Structure |
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| Formula |
C21H21NO5
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| Molecular Weight |
367.401
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| Canonical SMILES |
COC(=O)Cc1ccc(OCc2oc(nc2C)-c2ccccc2OC)cc1
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| InChI |
InChI=1S/C21H21NO5/c1-14-19(27-21(22-14)17-6-4-5-7-18(17)24-2)13-26-16-10-8-15(9-11-16)12-20(23)25-3/h4-11H,12-13H2,1-3H3
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| InChIKey |
GWVLKHYLZIYXAO-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: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01591, Thyroid hormone receptor alpha
Protein ID: PT01018, Thyroid hormone receptor beta
Protein ID: PT02378, Vitamin D3 receptor