General Information of the Compound
Compound ID
CP0101729
Compound Name
4-cyclohexylbutyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
    Show/Hide
Structure
Formula
C14H24N2O3
Molecular Weight
268.357
Canonical SMILES
O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1
    Show/Hide
InChI
InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
    Show/Hide
InChIKey
FNLUJRBWJBUJTC-LBPRGKRZSA-N
Physicochemical Property
logP
1.9616
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 78319072
ChEMBL ID
CHEMBL3770726
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: PT02713, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
2
IC50 = 73 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM
Protein ID: PT03010, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM