General Information of the Compound
Compound ID
CP0338186
Compound Name
N,N-dicyclohexyl-1,2-benzoxazole-3-carboxamide
    Show/Hide
Structure
Formula
C20H26N2O2
Molecular Weight
326.44
Canonical SMILES
O=C(N(C1CCCCC1)C1CCCCC1)c1noc2ccccc12
    Show/Hide
InChI
InChI=1S/C20H26N2O2/c23-20(19-17-13-7-8-14-18(17)24-21-19)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
    Show/Hide
InChIKey
PXIFKCZYAVDHBY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9354
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 25110524
ChEMBL ID
CHEMBL1976643
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: PT01838, Sphingosine 1-phosphate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 50000 nM
   TI
   LI
   LO
   TS