General Information of the Compound
| Compound ID |
CP0385019
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| Compound Name |
3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C22H22FNO5
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| Molecular Weight |
399.418
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| Canonical SMILES |
COc1ccc(cc1COc1ccc(CCC(O)=O)c(F)c1)-c1c(C)noc1C
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| InChI |
InChI=1S/C22H22FNO5/c1-13-22(14(2)29-24-13)16-5-8-20(27-3)17(10-16)12-28-18-7-4-15(19(23)11-18)6-9-21(25)26/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,25,26)
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| InChIKey |
PGTVGIDWZYPQSP-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