General Information of the Compound
Compound ID
CP0386282
Compound Name
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
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Structure
Formula
C22H18F2N2
Molecular Weight
348.396
Canonical SMILES
Cc1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1
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InChI
InChI=1S/C22H18F2N2/c1-15-3-2-4-16(13-15)21-25-14-22(26-21,17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h2-13H,14H2,1H3,(H,25,26)
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InChIKey
LZSXXSURRNAUSS-UHFFFAOYSA-N
Physicochemical Property
logP
4.56682
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 10154767
SID: 15147846
ChEMBL ID
CHEMBL499973
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 = 30 nM
   TI
   LI
   LO
   TS