General Information of the Compound
Compound ID
CP0430072
Compound Name
N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine
    Show/Hide
Structure
Formula
C25H21N3O
Molecular Weight
379.463
Canonical SMILES
C(NC1Cc2ccccc2C1)c1c(nc2occn12)-c1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C25H21N3O/c1-2-6-18-13-21(10-9-17(18)5-1)24-23(28-11-12-29-25(28)27-24)16-26-22-14-19-7-3-4-8-20(19)15-22/h1-13,22,26H,14-16H2
    Show/Hide
InChIKey
YZURNDYPRVIEOC-UHFFFAOYSA-N
Physicochemical Property
logP
5.0045
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
42.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 142505432
ChEMBL ID
CHEMBL4473295
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 = 660 nM
   TI
   LI
   LO
   TS