General Information of the Compound
Compound ID
CP0403198
Compound Name
(E)-N-[(2-chlorophenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine
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Structure
Formula
C23H16ClN3O2
Molecular Weight
401.853
Canonical SMILES
Clc1ccccc1CO\N=C\c1c(nc2occn12)-c1ccc2ccccc2c1
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InChI
InChI=1S/C23H16ClN3O2/c24-20-8-4-3-7-19(20)15-29-25-14-21-22(26-23-27(21)11-12-28-23)18-10-9-16-5-1-2-6-17(16)13-18/h1-14H,15H2/b25-14+
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InChIKey
YMGMDVWDFAETAA-AFUMVMLFSA-N
Physicochemical Property
logP
5.9516
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
52.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 142505465
ChEMBL ID
CHEMBL4450328
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 = 1100 nM
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