General Information of the Compound
| Compound ID |
CP0394272
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| Compound Name |
4-(4-methoxyphenoxy)naphthalene-1,2-dione
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| Structure |
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| Formula |
C17H12O4
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| Molecular Weight |
280.279
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| Canonical SMILES |
COc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C17H12O4/c1-20-11-6-8-12(9-7-11)21-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3
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| InChIKey |
BNKIIBMIIHNZAX-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
Protein ID: PT02235, Cocaine esterase
Protein ID: PT02186, Liver carboxylesterase 1