General Information of the Compound
| Compound ID |
CP0427032
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| Compound Name |
5-(benzenesulfonyl)-2-[(E)-2-(2,4-difluorophenyl)ethenyl]pyridine
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| Structure |
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| Formula |
C19H13F2NO2S
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| Molecular Weight |
357.381
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| Canonical SMILES |
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C19H13F2NO2S/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)25(23,24)17-4-2-1-3-5-17/h1-13H/b9-7+
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| InChIKey |
WSSRAGJKXMFYQO-VQHVLOKHSA-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2