General Information of the Compound
| Compound ID |
CP0965878
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| Compound Name |
3-(4-((3-butoxy-5-(3,5-dimethylisoxazol-4-yl)benzyl)oxy)-2-fluorophenyl)propanoic acid
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| Structure |
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| Formula |
C25H28FNO5
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| Molecular Weight |
441.499
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| Canonical SMILES |
CCCCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1
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| InChI |
InChI=1S/C25H28FNO5/c1-4-5-10-30-22-12-18(11-20(13-22)25-16(2)27-32-17(25)3)15-31-21-8-6-19(23(26)14-21)7-9-24(28)29/h6,8,11-14H,4-5,7,9-10,15H2,1-3H3,(H,28,29)
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| InChIKey |
WHSACJQNNLJZFS-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