General Information of the Compound
| Compound ID |
CP0553453
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| Compound Name |
4-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine
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| Formula |
C13H10FNO2S
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| Molecular Weight |
263.293
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| Canonical SMILES |
Fc1ccccc1S(=O)(=O)\C=C\c1ccncc1
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| InChI |
InChI=1S/C13H10FNO2S/c14-12-3-1-2-4-13(12)18(16,17)10-7-11-5-8-15-9-6-11/h1-10H/b10-7+
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| InChIKey |
MMUALWVYSQJFMK-JXMROGBWSA-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