General Information of the Compound
| Compound ID |
CP0403366
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| Compound Name |
2-(4-methoxyphenyl)-1-oxidoindol-1-ium-3-one
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| Structure |
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| Formula |
C15H11NO3
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| Molecular Weight |
253.257
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| Canonical SMILES |
COc1ccc(cc1)C1=[N+]([O-])c2ccccc2C1=O
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| InChI |
InChI=1S/C15H11NO3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9H,1H3
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| InChIKey |
ZPCJCVQIWZJBSH-UHFFFAOYSA-N
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| CAS |
25410-78-0
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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