General Information of the Compound
Compound ID
CP0258904
Compound Name
N-cycloheptyl-N-cyclopentyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
    Show/Hide
Structure
Formula
C19H28N2O2
Molecular Weight
316.445
Canonical SMILES
O=C(N(C1CCCC1)C1CCCCCC1)c1cc(on1)C1CC1
    Show/Hide
InChI
InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(16-9-5-6-10-16)15-7-3-1-2-4-8-15/h13-16H,1-12H2
    Show/Hide
InChIKey
NQYUDXFRHWJJPT-UHFFFAOYSA-N
Physicochemical Property
logP
4.6596
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 25110511
ChEMBL ID
CHEMBL1976353
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 = 2753 nM
   TI
   LI
   LO
   TS