General Information of the Compound
| Compound ID |
CP0432013
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| Compound Name |
2-[4-[[3-(2-cyanophenyl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C22H17FN2O3
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| Molecular Weight |
376.387
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| Canonical SMILES |
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2C#N)cc1F
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| InChI |
InChI=1S/C22H17FN2O3/c23-20-11-18(8-9-21(20)28-14-22(26)27)25-13-15-4-3-6-16(10-15)19-7-2-1-5-17(19)12-24/h1-11,25H,13-14H2,(H,26,27)
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| InChIKey |
WXLYHDVCFVOHDU-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