General Information of the Compound
| Compound ID |
CP0579005
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| Compound Name |
2-[4-[[3-(2,6-dimethyl-4-propoxyphenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C26H28FNO4
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| Molecular Weight |
437.511
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| Canonical SMILES |
CCCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C26H28FNO4/c1-4-10-31-22-11-17(2)26(18(3)12-22)20-7-5-6-19(13-20)15-28-21-8-9-24(23(27)14-21)32-16-25(29)30/h5-9,11-14,28H,4,10,15-16H2,1-3H3,(H,29,30)
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| InChIKey |
HBNXSLKZUGSSQM-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