General Information of the Compound
| Compound ID |
CP0096193
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| Compound Name |
2-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
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| Structure |
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| Formula |
C14H12ClNO3S
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| Molecular Weight |
309.774
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)\C=C\c1cccnc1Cl
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| InChI |
InChI=1S/C14H12ClNO3S/c1-19-12-4-6-13(7-5-12)20(17,18)10-8-11-3-2-9-16-14(11)15/h2-10H,1H3/b10-8+
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| InChIKey |
UOEWGMZXMRRPTA-CSKARUKUSA-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