General Information of the Compound
| Compound ID |
CP0513573
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| Compound Name |
5,6-dimethoxy-1-oxido-2-phenylindol-1-ium-3-one
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| Structure |
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| Formula |
C16H13NO4
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| Molecular Weight |
283.283
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| Canonical SMILES |
COc1cc2C(=O)C(c3ccccc3)=[N+]([O-])c2cc1OC
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| InChI |
InChI=1S/C16H13NO4/c1-20-13-8-11-12(9-14(13)21-2)17(19)15(16(11)18)10-6-4-3-5-7-10/h3-9H,1-2H3
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| InChIKey |
IKSZKMFNGWQMHC-UHFFFAOYSA-N
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| CAS |
69511-80-4
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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