General Information of the Compound
Compound ID
CP0526029
Compound Name
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine
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Structure
Formula
C23H17N3O2
Molecular Weight
367.408
Canonical SMILES
C(O\N=C\c1c(nc2occn12)-c1ccc2ccccc2c1)c1ccccc1
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InChI
InChI=1S/C23H17N3O2/c1-2-6-17(7-3-1)16-28-24-15-21-22(25-23-26(21)12-13-27-23)20-11-10-18-8-4-5-9-19(18)14-20/h1-15H,16H2/b24-15+
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InChIKey
SVQBGUVLKWLPPT-BUVRLJJBSA-N
Physicochemical Property
logP
5.2982
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
52.03
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: 142505434
ChEMBL ID
CHEMBL4576432
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 = 7300 nM
   TI
   LI
   LO
   TS
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 = 840 nM
   TI
   LI
   LO
   TS