General Information of the Compound
| Compound ID |
CP0438285
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| Compound Name |
3-[4-[2-(2-methoxypyridin-4-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H15NO3
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| Molecular Weight |
281.311
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| Canonical SMILES |
COc1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C17H15NO3/c1-21-16-12-15(10-11-18-16)7-6-13-2-4-14(5-3-13)8-9-17(19)20/h2-5,10-12H,8-9H2,1H3,(H,19,20)
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| InChIKey |
IAGIKUMNVFEAKO-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