General Information of the Compound
| Compound ID |
CP0565217
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| Compound Name |
3-[2-(4-chloronaphthalen-1-yl)oxyethyl]-1-oxidopyridin-1-ium
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| Structure |
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| Formula |
C17H14ClNO2
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| Molecular Weight |
299.757
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| Canonical SMILES |
[O-][n+]1cccc(CCOc2ccc(Cl)c3ccccc23)c1
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| InChI |
InChI=1S/C17H14ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-13-4-3-10-19(20)12-13/h1-8,10,12H,9,11H2
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| InChIKey |
FXOVKEUUTXBOJZ-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