General Information of the Compound
Compound ID
CP0514852
Compound Name
2-phenyl-N-(1-(pyridin-2-yl)propyl)quinoline-4-carboxamide
    Show/Hide
Structure
Formula
C24H21N3O
Molecular Weight
367.452
Canonical SMILES
CCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccn1
    Show/Hide
InChI
InChI=1S/C24H21N3O/c1-2-20(22-14-8-9-15-25-22)27-24(28)19-16-23(17-10-4-3-5-11-17)26-21-13-7-6-12-18(19)21/h3-16,20H,2H2,1H3,(H,27,28)
    Show/Hide
InChIKey
ZUKHCFDOVYFUHP-UHFFFAOYSA-N
Physicochemical Property
logP
5.1779
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 16035466
SID: 24418042
ChEMBL ID
CHEMBL1277892
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: PT01199, Neuromedin-K receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 5.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 900 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS