General Information of the Compound
Compound ID
CP0565537
Compound Name
6-methoxy-4-methyl-N-((1-(thiophen-3-ylmethyl)piperidin-3-yl)methyl)quinolin-2-amine
    Show/Hide
Structure
Formula
C22H27N3OS
Molecular Weight
381.545
Canonical SMILES
COc1ccc2nc(NCC3CCCN(Cc4ccsc4)C3)cc(C)c2c1
    Show/Hide
InChI
InChI=1S/C22H27N3OS/c1-16-10-22(24-21-6-5-19(26-2)11-20(16)21)23-12-17-4-3-8-25(13-17)14-18-7-9-27-15-18/h5-7,9-11,15,17H,3-4,8,12-14H2,1-2H3,(H,23,24)
    Show/Hide
InChIKey
DGKZDHGSOGHHHU-UHFFFAOYSA-N
Physicochemical Property
logP
4.93742
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
37.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 44442060
ChEMBL ID
CHEMBL400297
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2990 nM
   TI
   LI
   LO
   TS