General Information of the Compound
Compound ID
CP0515350
Compound Name
N-[2-(diethylamino)ethyl]-2-methoxy-4-(phenylcarbamoylamino)benzamide
    Show/Hide
Structure
Formula
C21H28N4O3
Molecular Weight
384.48
Canonical SMILES
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1OC
    Show/Hide
InChI
InChI=1S/C21H28N4O3/c1-4-25(5-2)14-13-22-20(26)18-12-11-17(15-19(18)28-3)24-21(27)23-16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,26)(H2,23,24,27)
    Show/Hide
InChIKey
ASTOXRUEFMJRBI-UHFFFAOYSA-N
Physicochemical Property
logP
3.4108
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
82.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 44395008
ChEMBL ID
CHEMBL183358
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS