General Information of the Compound
Compound ID
CP0408107
Compound Name
4-(1H-imidazol-5-yl)-N-naphthalen-1-ylpiperidine-1-carboxamide
    Show/Hide
Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
O=C(Nc1cccc2ccccc12)N1CCC(CC1)c1c[nH]cn1
    Show/Hide
InChI
InChI=1S/C19H20N4O/c24-19(22-17-7-3-5-14-4-1-2-6-16(14)17)23-10-8-15(9-11-23)18-12-20-13-21-18/h1-7,12-13,15H,8-11H2,(H,20,21)(H,22,24)
    Show/Hide
InChIKey
RTJOXOPEXJLQTA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9744
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
61.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 13731320
ChEMBL ID
CHEMBL4092578
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1090 nM
   TI
   LI
   LO
   TS