General Information of the Compound
Compound ID
CP0499976
Compound Name
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide
    Show/Hide
Structure
Formula
C20H26ClN3O
Molecular Weight
359.901
Canonical SMILES
CN(C)CCC(NC(=O)c1ccc(cc1)N(C)C)c1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C20H26ClN3O/c1-23(2)14-13-19(15-5-9-17(21)10-6-15)22-20(25)16-7-11-18(12-8-16)24(3)4/h5-12,19H,13-14H2,1-4H3,(H,22,25)
    Show/Hide
InChIKey
INHVINJBYGIEBE-UHFFFAOYSA-N
Physicochemical Property
logP
3.8288
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 11546868
SID: 16742334
ChEMBL ID
CHEMBL205254
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 = 1348.96 nM
   TI
   LI
   LO
   TS