General Information of the Compound
| Compound ID |
CP0541896
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| Compound Name |
3-[4-[[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H16F3NO4
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| Molecular Weight |
391.345
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(noc2C(F)(F)F)-c2ccccc2)cc1
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| InChI |
InChI=1S/C20H16F3NO4/c21-20(22,23)19-16(18(24-28-19)14-4-2-1-3-5-14)12-27-15-9-6-13(7-10-15)8-11-17(25)26/h1-7,9-10H,8,11-12H2,(H,25,26)
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| InChIKey |
XTYPNHPQYWIBRH-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