General Information of the Compound
| Compound ID |
CP0521207
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| Compound Name |
2-[2-fluoro-4-[[3-[4-(2-methoxyethoxy)-2,6-dimethylphenyl]phenyl]methylamino]phenoxy]acetic acid
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| Structure |
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| Formula |
C26H28FNO5
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| Molecular Weight |
453.51
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| Canonical SMILES |
COCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C26H28FNO5/c1-17-11-22(32-10-9-31-3)12-18(2)26(17)20-6-4-5-19(13-20)15-28-21-7-8-24(23(27)14-21)33-16-25(29)30/h4-8,11-14,28H,9-10,15-16H2,1-3H3,(H,29,30)
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| InChIKey |
MHPPCBYONONHTC-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