General Information of the Compound
Compound ID
CP0955877
Compound Name
N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-6,7,8,9-tetrahydro-1H-naphtho[1,2-d]imidazol-8-amine
    Show/Hide
Structure
Formula
C26H35N5
Molecular Weight
417.601
Canonical SMILES
CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2ccc3nc[nH]c3c2C1
    Show/Hide
InChI
InChI=1S/C26H35N5/c1-2-12-30(16-13-29-14-17-31(18-15-29)22-6-4-3-5-7-22)23-10-8-21-9-11-25-26(24(21)19-23)28-20-27-25/h3-7,9,11,20,23H,2,8,10,12-19H2,1H3,(H,27,28)
    Show/Hide
InChIKey
YODDKDGEPXFIPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.9544
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
38.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 71660185
ChEMBL ID
CHEMBL2387705
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: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 520 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 54.1 nM
   TI
   LI
   LO
   TS