General Information of the Compound
Compound ID
CP0924402
Compound Name
N-[3-Dimethylamino-1-(2-naphthyl)propyl]-4-(2-naphthyl)benzamide HCl
    Show/Hide
Structure
Formula
C32H31ClN2O
Molecular Weight
495.066
Canonical SMILES
CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.Cl
    Show/Hide
InChI
InChI=1S/C32H30N2O.ClH/c1-34(2)20-19-31(30-18-14-24-8-4-6-10-28(24)22-30)33-32(35)26-15-11-25(12-16-26)29-17-13-23-7-3-5-9-27(23)21-29;/h3-18,21-22,31H,19-20H2,1-2H3,(H,33,35);1H
    Show/Hide
InChIKey
SNGSLMRXLPOCET-UHFFFAOYSA-N
Physicochemical Property
logP
7.5046
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
36

"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: 45481579
ChEMBL ID
CHEMBL578853
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 = 524.81 nM
   TI
   LI
   LO
   TS