General Information of the Compound
Compound ID
CP0575430
Compound Name
6-(1-methylpiperidin-4-yl)-2-oxo-N-pentyl-1,3-benzoxazole-3-carboxamide
    Show/Hide
Structure
Formula
C19H27N3O3
Molecular Weight
345.443
Canonical SMILES
CCCCCNC(=O)n1c2ccc(cc2oc1=O)C1CCN(C)CC1
    Show/Hide
InChI
InChI=1S/C19H27N3O3/c1-3-4-5-10-20-18(23)22-16-7-6-15(13-17(16)25-19(22)24)14-8-11-21(2)12-9-14/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,23)
    Show/Hide
InChIKey
XCZRCGRPVUDNAC-UHFFFAOYSA-N
Physicochemical Property
logP
3.1516
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
67.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 155528447
ChEMBL ID
CHEMBL4460936
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: PT04305, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 396 nM
   TI
   LI
   LO
   TS