General Information of the Compound
| Compound ID |
CP0557046
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| Compound Name |
3-chloro-2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
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| Structure |
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| Formula |
C13H9ClFNO2S
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| Molecular Weight |
297.738
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)\C=C\c1ncccc1Cl
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| InChI |
InChI=1S/C13H9ClFNO2S/c14-12-5-2-7-16-13(12)6-8-19(17,18)11-4-1-3-10(15)9-11/h1-9H/b8-6+
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| InChIKey |
MKVTZVWJCGSAHV-SOFGYWHQSA-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