General Information of the Compound
Compound ID
CP0948856
Compound Name
5-(1-methyl-1H-indol-5-yl)-N-phenylbenzo[d]oxazol-2-amine
    Show/Hide
Structure
Formula
C22H17N3O
Molecular Weight
339.398
Canonical SMILES
Cn1ccc2cc(-c3ccc4oc(Nc5ccccc5)nc4c3)ccc21
    Show/Hide
InChI
InChI=1S/C22H17N3O/c1-25-12-11-17-13-15(7-9-20(17)25)16-8-10-21-19(14-16)24-22(26-21)23-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,24)
    Show/Hide
InChIKey
DGCFWRXRNYMGTP-UHFFFAOYSA-N
Physicochemical Property
logP
5.7301
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
42.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 45279281
SID: 92761723
ChEMBL ID
CHEMBL3222177
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 = 48 nM
   TI
   LI
   LO
   TS