General Information of the Compound
Compound ID
CP0210525
Compound Name
5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
    Show/Hide
Structure
Formula
C21H32N2O2
Molecular Weight
344.499
Canonical SMILES
CC1CCCCC1N(C1CCCCC1C)C(=O)c1cc(on1)C1CC1
    Show/Hide
InChI
InChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3
    Show/Hide
InChIKey
XVWDFPZSRGALNR-UHFFFAOYSA-N
Physicochemical Property
logP
5.1516
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 25110496
ChEMBL ID
CHEMBL1969371
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 = 202 nM
   TI
   LI
   LO
   TS