General Information of the Compound
Compound ID
CP0963497
Compound Name
N-methyl-5-(1-methyl-1H-indol-5-yl)-N-phenylbenzo[d]oxazol-2-amine
    Show/Hide
Structure
Formula
C23H19N3O
Molecular Weight
353.425
Canonical SMILES
CN(c1ccccc1)c1nc2cc(-c3ccc4c(ccn4C)c3)ccc2o1
    Show/Hide
InChI
InChI=1S/C23H19N3O/c1-25-13-12-18-14-16(8-10-21(18)25)17-9-11-22-20(15-17)24-23(27-22)26(2)19-6-4-3-5-7-19/h3-15H,1-2H3
    Show/Hide
InChIKey
MVYARKAUCYWWLH-UHFFFAOYSA-N
Physicochemical Property
logP
5.7544
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
34.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 45279640
SID: 92762077
ChEMBL ID
CHEMBL3222179
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 68 nM
   TI
   LI
   LO
   TS