General Information of the Compound
| Compound ID |
CP0424782
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| Compound Name |
[4-[(4-bromophenyl)-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl] acetate
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| Formula |
C20H16BrNO3
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| Molecular Weight |
398.256
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| Canonical SMILES |
CC(=O)Oc1ccc(cc1)C(c1ccc(Br)cc1)c1cccc[n+]1[O-]
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| InChI |
InChI=1S/C20H16BrNO3/c1-14(23)25-18-11-7-16(8-12-18)20(15-5-9-17(21)10-6-15)19-4-2-3-13-22(19)24/h2-13,20H,1H3
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| InChIKey |
FYKUMGAOAVRBEH-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