General Information of the Compound
| Compound ID |
CP0431040
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| Compound Name |
2-[4-[2-(3-hydroxyphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C16H12O4
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| Molecular Weight |
268.268
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| Canonical SMILES |
OC(=O)COc1ccc(cc1)C#Cc1cccc(O)c1
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| InChI |
InChI=1S/C16H12O4/c17-14-3-1-2-13(10-14)5-4-12-6-8-15(9-7-12)20-11-16(18)19/h1-3,6-10,17H,11H2,(H,18,19)
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| InChIKey |
MFSMEFNALMDPLY-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