General Information of the Compound
| Compound ID |
CP0435721
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| Compound Name |
2-[4-[(3-phenoxyphenyl)methylamino]phenoxy]acetic acid
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| Structure |
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| Formula |
C21H19NO4
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| Molecular Weight |
349.386
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| Canonical SMILES |
OC(=O)COc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C21H19NO4/c23-21(24)15-25-18-11-9-17(10-12-18)22-14-16-5-4-8-20(13-16)26-19-6-2-1-3-7-19/h1-13,22H,14-15H2,(H,23,24)
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| InChIKey |
JBKLGOKYTCIIQM-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