General Information of the Compound
Compound ID
CP0235801
Compound Name
2-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyrazine
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Structure
Formula
C19H14F2N4
Molecular Weight
336.345
Canonical SMILES
Fc1ccc(cc1)C1(CNC(=N1)c1cnccn1)c1ccc(F)cc1
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InChI
InChI=1S/C19H14F2N4/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)12-24-18(25-19)17-11-22-9-10-23-17/h1-11H,12H2,(H,24,25)
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InChIKey
MGAGGIYVXPYGLM-UHFFFAOYSA-N
Physicochemical Property
logP
3.0484
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
50.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 9923839
SID: 14895571
ChEMBL ID
CHEMBL490937
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)  2
1
IC50 = 2.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.3 nM
   TI
   LI
   LO
   TS
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
Ki = 4.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3400 nM
   TI
   LI
   LO
   TS