General Information of the Compound
| Compound ID |
CP0505965
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| Compound Name |
2-[4-chloro-2-[2-(2,4-difluorophenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C16H9ClF2O3
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| Molecular Weight |
322.694
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1C#Cc1ccc(F)cc1F
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| InChI |
InChI=1S/C16H9ClF2O3/c17-12-4-6-15(22-9-16(20)21)11(7-12)2-1-10-3-5-13(18)8-14(10)19/h3-8H,9H2,(H,20,21)
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| InChIKey |
AAZUUYGQYHHBPC-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