General Information of the Compound
Compound ID
CP0497894
Compound Name
4,4-bis(4-fluorophenyl)-2-(3-(methylsulfonyl)phenyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C22H18F2N2O2S
Molecular Weight
412.461
Canonical SMILES
CS(=O)(=O)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1
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InChI
InChI=1S/C22H18F2N2O2S/c1-29(27,28)20-4-2-3-15(13-20)21-25-14-22(26-21,16-5-9-18(23)10-6-16)17-7-11-19(24)12-8-17/h2-13H,14H2,1H3,(H,25,26)
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InChIKey
GPVRTSCLEVUEQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.6619
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
58.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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).

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PubChem ID
CID: 10223395
SID: 15224377
ChEMBL ID
CHEMBL495369
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000440 LM Homo sapiens (Human)  1
1
IC50 = 9.2 nM
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