General Information of the Compound
Compound ID
CP0426743
Compound Name
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine
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Structure
Formula
C29H21N3O3
Molecular Weight
459.505
Canonical SMILES
C(O\N=C\c1c(nc2occn12)-c1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C29H21N3O3/c1-2-8-25(9-3-1)35-26-14-10-21(11-15-26)20-34-30-19-27-28(31-29-32(27)16-17-33-29)24-13-12-22-6-4-5-7-23(22)18-24/h1-19H,20H2/b30-19+
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InChIKey
DLFKZTMLENBWIB-NDZAJKAJSA-N
Physicochemical Property
logP
7.0905
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
61.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 155566505
ChEMBL ID
CHEMBL4584424
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: PT01552, Nuclear receptor subfamily 1 group I member 2
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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