General Information of the Compound
Compound ID
CP0524393
Compound Name
4-cyclohexyl-N-[4-(4-ethylpiperazin-1-yl)oxy-3-methoxyphenyl]benzamide
    Show/Hide
Structure
Formula
C26H35N3O3
Molecular Weight
437.584
Canonical SMILES
CCN1CCN(CC1)Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)cc1OC
    Show/Hide
InChI
InChI=1S/C26H35N3O3/c1-3-28-15-17-29(18-16-28)32-24-14-13-23(19-25(24)31-2)27-26(30)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h9-14,19-20H,3-8,15-18H2,1-2H3,(H,27,30)
    Show/Hide
InChIKey
VNAJGUDWCHCOPK-UHFFFAOYSA-N
Physicochemical Property
logP
4.9265
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
54.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 44416554
ChEMBL ID
CHEMBL212488
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
Ki = 79.43 nM
   TI
   LI
   LO
   TS