General Information of the Compound
Compound ID
CP0455876
Compound Name
2,4,4-triphenylimidazoline
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Synonyms
2,4,4-triphenylimidazoline
BDBM50257786
CHEMBL493970
SCHEMBL4463957
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Structure
Formula
C21H18N2
Molecular Weight
298.389
Canonical SMILES
C1NC(=NC1(c1ccccc1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-22-16-21(23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
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InChIKey
KXSXOHNHKQJMNF-UHFFFAOYSA-N
Physicochemical Property
logP
3.9802
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 22054806
ChEMBL ID
CHEMBL493970
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 = 54 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,4,4-triphenylimidazoline )
Drug Name 2,4,4-triphenylimidazoline
Target(s)
Neuropeptide Y receptor type 5 (NPY5R)
Inhibitor