General Information of the Compound
| Compound ID |
CP0436274
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| Compound Name |
2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C19H20FNO5
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| Molecular Weight |
361.369
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| Canonical SMILES |
CC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C19H20FNO5/c1-11-4-6-15(8-12(11)2)26-13(3)19(24)21-14-5-7-17(16(20)9-14)25-10-18(22)23/h4-9,13H,10H2,1-3H3,(H,21,24)(H,22,23)
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| InChIKey |
KBOUWVHHHCCMNQ-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