General Information of the Compound
| Compound ID |
CP0577209
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| Compound Name |
3-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
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| Formula |
C13H10ClNO2S
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| Molecular Weight |
279.748
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)\C=C\c1cccnc1
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| InChI |
InChI=1S/C13H10ClNO2S/c14-12-4-1-5-13(9-12)18(16,17)8-6-11-3-2-7-15-10-11/h1-10H/b8-6+
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| InChIKey |
QLMPHRFAIWDWBZ-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