General Information of the Compound
Compound ID
CP0416695
Compound Name
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine
    Show/Hide
Structure
Formula
C23H15Cl2N3O2
Molecular Weight
436.298
Canonical SMILES
Clc1ccc(CO\N=C\c2c(nc3occn23)-c2ccc3ccccc3c2)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C23H15Cl2N3O2/c24-19-8-7-18(20(25)12-19)14-30-26-13-21-22(27-23-28(21)9-10-29-23)17-6-5-15-3-1-2-4-16(15)11-17/h1-13H,14H2/b26-13+
    Show/Hide
InChIKey
DMGHCKHRLCSCBM-LGJNPRDNSA-N
Physicochemical Property
logP
6.605
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
52.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 142505427
ChEMBL ID
CHEMBL4446628
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: PT03733, Nuclear receptor subfamily 1 group I member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 1500 nM
   TI
   LI
   LO
   TS