General Information of the Compound
| Compound ID |
CP0868584
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| Compound Name |
3-((4-acetyl-2-chlorophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C16H13ClO4
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| Molecular Weight |
304.729
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| Canonical SMILES |
CC(=O)c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1
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| InChI |
InChI=1S/C16H13ClO4/c1-10(18)12-5-6-15(14(17)8-12)21-9-11-3-2-4-13(7-11)16(19)20/h2-8H,9H2,1H3,(H,19,20)
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| InChIKey |
DOIXNRQIKFTHLC-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