General Information of the Compound
| Compound ID |
CP0533191
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| Compound Name |
2-[2-[2-(2-chlorophenyl)ethynyl]-4-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C17H13ClO3
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| Molecular Weight |
300.741
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| Canonical SMILES |
Cc1ccc(OCC(O)=O)c(c1)C#Cc1ccccc1Cl
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| InChI |
InChI=1S/C17H13ClO3/c1-12-6-9-16(21-11-17(19)20)14(10-12)8-7-13-4-2-3-5-15(13)18/h2-6,9-10H,11H2,1H3,(H,19,20)
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| InChIKey |
LGRNLUDCAMAJQH-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