General Information of the Compound
Compound ID
CP0380043
Compound Name
1-[2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)butoxy]ethyl]imidazole
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Structure
Formula
C23H28N2O3
Molecular Weight
380.488
Canonical SMILES
COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
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InChI
InChI=1S/C23H28N2O3/c1-26-21-10-6-19(7-11-21)5-3-4-16-28-23(17-25-15-14-24-18-25)20-8-12-22(27-2)13-9-20/h6-15,18,23H,3-5,16-17H2,1-2H3
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InChIKey
MHAGRLZWSZQJKK-UHFFFAOYSA-N
Physicochemical Property
logP
4.6811
Rotatable Bonds
11
Heavy Atom Count
28
Polar Areas
45.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 132547221
ChEMBL ID
CHEMBL3913392
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: PT06229, Calcium release-activated calcium channel protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  2
1
IC50 = 42000 nM
   TI
   LI
   LO
   TS
2
IC50 = 67000 nM
   TI
   LI
   LO
   TS