General Information of the Compound
| Compound ID |
CP0039100
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| Compound Name |
2-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]sulfonyl]benzonitrile
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| Structure |
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| Formula |
C20H20F2N2O2S
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| Molecular Weight |
390.455
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| Canonical SMILES |
Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
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| InChI |
InChI=1S/C20H20F2N2O2S/c21-17-6-5-15(19(22)13-17)7-10-24-11-8-18(9-12-24)27(25,26)20-4-2-1-3-16(20)14-23/h1-6,13,18H,7-12H2
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| InChIKey |
INHVEWGDJNLCCN-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: PT01492, 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