General Information of the Compound
| Compound ID |
CP0439334
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| Compound Name |
2-[4-[2-(2-methylphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C17H14O3
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| Molecular Weight |
266.296
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| Canonical SMILES |
Cc1ccccc1C#Cc1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C17H14O3/c1-13-4-2-3-5-15(13)9-6-14-7-10-16(11-8-14)20-12-17(18)19/h2-5,7-8,10-11H,12H2,1H3,(H,18,19)
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| InChIKey |
ZUXGFKWBSMEYJC-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