General Information of the Compound
| Compound ID |
CP0546241
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| Compound Name |
2-chloro-5-[(Z)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
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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/c1ccc(Cl)nc1
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| InChI |
InChI=1S/C13H9ClFNO2S/c14-13-5-4-10(9-16-13)6-7-19(17,18)12-3-1-2-11(15)8-12/h1-9H/b7-6-
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| InChIKey |
LYAKPVGDIMFWDX-SREVYHEPSA-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