General Information of the Compound
Compound ID
CP0350596
Compound Name
5-cyclopropyl-N-(2-methylcyclohexyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
    Show/Hide
Structure
Formula
C19H28N2O3
Molecular Weight
332.444
Canonical SMILES
CC1CCCCC1N(C1CCOCC1)C(=O)c1cc(on1)C1CC1
    Show/Hide
InChI
InChI=1S/C19H28N2O3/c1-13-4-2-3-5-17(13)21(15-8-10-23-11-9-15)19(22)16-12-18(24-20-16)14-6-7-14/h12-15,17H,2-11H2,1H3
    Show/Hide
InChIKey
GRIJGLMNIRAJPK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7519
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
55.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 25110501
ChEMBL ID
CHEMBL1979798
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 = 2820 nM
   TI
   LI
   LO
   TS