General Information of the Compound
Compound ID
CP0210900
Compound Name
1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea
    Show/Hide
Structure
Formula
C16H29N3O2
Molecular Weight
295.427
Canonical SMILES
CC(=O)N1CCC(CC1)NC(=O)NC1CCC(C)(C)CC1
    Show/Hide
InChI
InChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21)
    Show/Hide
InChIKey
UDPVDDGIONATCV-UHFFFAOYSA-N
Physicochemical Property
logP
2.2653
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 53317890
ChEMBL ID
CHEMBL1668930
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000749 HUVEC-C Homo sapiens (Human)  1
1
IC50 = 38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM