General Information of the Compound
| Compound ID |
CP0452540
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| Compound Name |
3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C21H19F2NO4
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| Molecular Weight |
387.382
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C21H19F2NO4/c1-12-21(13(2)28-24-12)15-4-7-18(22)16(9-15)11-27-17-6-3-14(19(23)10-17)5-8-20(25)26/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,25,26)
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| InChIKey |
YGMBZCXYSXAVJX-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