General Information of the Compound
Compound ID
CP0528398
Compound Name
5-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyrimidine
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Structure
Formula
C19H14F2N4
Molecular Weight
336.345
Canonical SMILES
Fc1ccc(cc1)C1(CNC(=N1)c1cncnc1)c1ccc(F)cc1
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InChI
InChI=1S/C19H14F2N4/c20-16-5-1-14(2-6-16)19(15-3-7-17(21)8-4-15)11-24-18(25-19)13-9-22-12-23-10-13/h1-10,12H,11H2,(H,24,25)
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InChIKey
HUJADIMPVBPBRU-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: 9967563
SID: 14944593
ChEMBL ID
CHEMBL495036
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 = 47 nM
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