General Information of the Compound
| Compound ID |
CP0578067
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| Compound Name |
2-[2-fluoro-4-[[3-[2-(trifluoromethyl)phenyl]phenyl]methylamino]phenoxy]acetic acid
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| Structure |
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| Formula |
C22H17F4NO3
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| Molecular Weight |
419.374
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| Canonical SMILES |
OC(=O)COc1ccc(NCc2cccc(c2)-c2ccccc2C(F)(F)F)cc1F
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| InChI |
InChI=1S/C22H17F4NO3/c23-19-11-16(8-9-20(19)30-13-21(28)29)27-12-14-4-3-5-15(10-14)17-6-1-2-7-18(17)22(24,25)26/h1-11,27H,12-13H2,(H,28,29)
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| InChIKey |
YBZZWMVMQHZXIN-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