General Information of the Compound
Compound ID
CP0434225
Compound Name
bisarylimidazole derivative, 5
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Structure
Formula
C27H26N2O3
Molecular Weight
426.516
Canonical SMILES
CCOC(=O)CCCOc1cccc(c1)-n1cnc(c1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C27H26N2O3/c1-2-31-25(30)17-10-18-32-24-16-9-15-23(19-24)29-20-28-26(21-11-5-3-6-12-21)27(29)22-13-7-4-8-14-22/h3-9,11-16,19-20H,2,10,17-18H2,1H3
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InChIKey
JJIXHQVIKRMVHG-UHFFFAOYSA-N
Physicochemical Property
logP
5.9284
Rotatable Bonds
9
Heavy Atom Count
32
Polar Areas
53.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 25190467
ChEMBL ID
CHEMBL428727
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
IC50 = 91 nM
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