General Information of the Compound
| Compound ID |
CP0965794
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| Compound Name |
3-((4-chloro-3,5-dimethylphenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C16H15ClO3
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| Molecular Weight |
290.746
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| Canonical SMILES |
Cc1cc(OCc2cccc(C(=O)O)c2)cc(C)c1Cl
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| InChI |
InChI=1S/C16H15ClO3/c1-10-6-14(7-11(2)15(10)17)20-9-12-4-3-5-13(8-12)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
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| InChIKey |
OGVYFRVGVJACCY-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