General Information of the Compound
Compound ID
CP0542920
Compound Name
(E)-N-[(4-methoxyphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine
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Structure
Formula
C24H19N3O3
Molecular Weight
397.434
Canonical SMILES
COc1ccc(CO\N=C\c2c(nc3occn23)-c2ccc3ccccc3c2)cc1
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InChI
InChI=1S/C24H19N3O3/c1-28-21-10-6-17(7-11-21)16-30-25-15-22-23(26-24-27(22)12-13-29-24)20-9-8-18-4-2-3-5-19(18)14-20/h2-15H,16H2,1H3/b25-15+
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InChIKey
MEPUCKXPTANYOU-MFKUBSTISA-N
Physicochemical Property
logP
5.3068
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
61.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 155269230
ChEMBL ID
CHEMBL4579387
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 = 4400 nM
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