General Information of the Compound
| Compound ID |
CP0096182
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| Compound Name |
2-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylpyridine
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| Structure |
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| Formula |
C14H13NO3S
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| Molecular Weight |
275.329
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| Canonical SMILES |
COc1ccccc1\C=C\S(=O)(=O)c1ccccn1
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| InChI |
InChI=1S/C14H13NO3S/c1-18-13-7-3-2-6-12(13)9-11-19(16,17)14-8-4-5-10-15-14/h2-11H,1H3/b11-9+
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| InChIKey |
JUIUDIWNXKNDBG-PKNBQFBNSA-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