General Information of the Compound
| Compound ID |
CP0432741
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| Compound Name |
2-[4-chloro-2-[2-[2-fluoro-4-(hydroxymethyl)phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C17H12ClFO4
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| Molecular Weight |
334.73
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| Canonical SMILES |
OCc1ccc(C#Cc2cc(Cl)ccc2OCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C17H12ClFO4/c18-14-5-6-16(23-10-17(21)22)13(8-14)4-3-12-2-1-11(9-20)7-15(12)19/h1-2,5-8,20H,9-10H2,(H,21,22)
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| InChIKey |
LYKMYSQDSKPTHD-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