General Information of the Compound
| Compound ID |
CP0428084
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| Compound Name |
(E)-5-fluoro-2-(2-(5-(2-fluorophenylsulfonyl)pyridin-2-yl)vinyl)benzonitrile
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| Structure |
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| Formula |
C20H12F2N2O2S
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| Molecular Weight |
382.391
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| Canonical SMILES |
Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(c1)C#N
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| InChI |
InChI=1S/C20H12F2N2O2S/c21-16-7-5-14(15(11-16)12-23)6-8-17-9-10-18(13-24-17)27(25,26)20-4-2-1-3-19(20)22/h1-11,13H/b8-6+
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| InChIKey |
WKFCBROSCKHSNN-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
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