General Information of the Compound
Compound ID
CP0891591
Compound Name
N6-(2-(4-Phenylpiperazin-1-yl)ethyl)-N6-propyl-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole-2,6-diamine
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Structure
Formula
C26H38N6
Molecular Weight
434.632
Canonical SMILES
CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3c(cc2C1)NC(N)N3
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InChI
InChI=1S/C26H38N6/c1-2-10-31(14-11-30-12-15-32(16-13-30)22-6-4-3-5-7-22)23-9-8-20-18-24-25(19-21(20)17-23)29-26(27)28-24/h3-7,18-19,23,26,28-29H,2,8-17,27H2,1H3
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InChIKey
GJWNNHQBSQJALA-UHFFFAOYSA-N
Physicochemical Property
logP
3.1578
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
59.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
32

"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).

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PubChem ID
CID: 73347394
ChEMBL ID
CHEMBL2387703
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 = 15922 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 = 1790 nM
   TI
   LI
   LO
   TS