General Information of the Compound
| Compound ID |
CP0260288
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| Compound Name |
4-(4-fluorophenoxy)naphthalene-1,2-dione
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| Structure |
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| Formula |
C16H9FO3
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| Molecular Weight |
268.243
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| Canonical SMILES |
Fc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C16H9FO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H
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| InChIKey |
ZXQYKOKVBATKRZ-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