General Information of the Compound
| Compound ID |
CP0427030
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| Compound Name |
2-(4-fluorophenethyl)-5-(4-fluorophenylsulfonyl)pyridine
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| Structure |
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| Formula |
C19H15F2NO2S
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| Molecular Weight |
359.397
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| Canonical SMILES |
Fc1ccc(CCc2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C19H15F2NO2S/c20-15-4-1-14(2-5-15)3-8-17-9-12-19(13-22-17)25(23,24)18-10-6-16(21)7-11-18/h1-2,4-7,9-13H,3,8H2
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| InChIKey |
STAZSACUQPAKDP-UHFFFAOYSA-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