General Information of the Compound
| Compound ID |
CP0341779
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| Compound Name |
methyl 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate
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| Structure |
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| Formula |
C23H26NO3+
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| Molecular Weight |
364.465
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| Canonical SMILES |
CCOc1ccc(\C=C\C2=[N+](C)c3ccc(cc3C2(C)C)C(=O)OC)cc1
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| InChI |
InChI=1S/C23H26NO3/c1-6-27-18-11-7-16(8-12-18)9-14-21-23(2,3)19-15-17(22(25)26-5)10-13-20(19)24(21)4/h7-15H,6H2,1-5H3/q+1/b14-9+
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| InChIKey |
MDUVMUXJYCGCAP-NTEUORMPSA-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