General Information of the Compound
| Compound ID |
CP0432801
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| Compound Name |
N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline
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| Structure |
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| Formula |
C16H15N2S+
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| Molecular Weight |
267.377
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| Canonical SMILES |
C[n+]1c(\C=C\Nc2ccccc2)sc2ccccc12
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| InChI |
InChI=1S/C16H14N2S/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13/h2-12H,1H3/p+1
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| InChIKey |
WPAWCEDYOJAKSM-UHFFFAOYSA-O
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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