General Information of the Compound
| Compound ID |
CP0466758
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| Compound Name |
3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H18O2
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| Molecular Weight |
278.351
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| Canonical SMILES |
Cc1cc(C)cc(c1)C#Cc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C19H18O2/c1-14-11-15(2)13-18(12-14)8-7-16-3-5-17(6-4-16)9-10-19(20)21/h3-6,11-13H,9-10H2,1-2H3,(H,20,21)
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| InChIKey |
POSSKPMUHPYNQG-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