General Information of the Compound
Compound ID
CP0382403
Compound Name
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methylbenzamide
    Show/Hide
Structure
Formula
C19H23ClN2O
Molecular Weight
330.859
Canonical SMILES
CN(C)CCC(NC(=O)c1ccccc1C)c1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C19H23ClN2O/c1-14-6-4-5-7-17(14)19(23)21-18(12-13-22(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)
    Show/Hide
InChIKey
ZYMPNERYDYGRNN-UHFFFAOYSA-N
Physicochemical Property
logP
4.07122
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 11537255
SID: 16639349
ChEMBL ID
CHEMBL202725
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 3548.13 nM
   TI
   LI
   LO
   TS