General Information of the Compound
| Compound ID |
CP0522139
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| Compound Name |
2-[4-chloro-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C17H10ClF3O3
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| Molecular Weight |
354.711
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H10ClF3O3/c18-14-6-7-15(24-10-16(22)23)12(9-14)5-4-11-2-1-3-13(8-11)17(19,20)21/h1-3,6-9H,10H2,(H,22,23)
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| InChIKey |
PMDWGSCWLQOAMS-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