General Information of the Compound
| Compound ID |
CP0559742
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| Compound Name |
2-[4-[[3-(2-chloro-4-methylphenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C22H19ClFNO3
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| Molecular Weight |
399.849
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| Canonical SMILES |
Cc1ccc(c(Cl)c1)-c1cccc(CNc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C22H19ClFNO3/c1-14-5-7-18(19(23)9-14)16-4-2-3-15(10-16)12-25-17-6-8-21(20(24)11-17)28-13-22(26)27/h2-11,25H,12-13H2,1H3,(H,26,27)
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| InChIKey |
JGSLXNNKFXRBMG-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