General Information of the Compound
Compound ID
CP0912858
Compound Name
N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazol-6-amine
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Structure
Formula
C26H35N5
Molecular Weight
417.601
Canonical SMILES
CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3[nH]cnc3cc2C1
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InChI
InChI=1S/C26H35N5/c1-2-10-30(14-11-29-12-15-31(16-13-29)23-6-4-3-5-7-23)24-9-8-21-18-25-26(28-20-27-25)19-22(21)17-24/h3-7,18-20,24H,2,8-17H2,1H3,(H,27,28)
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InChIKey
OSGRAXWRUKQVAN-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).

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PubChem ID
CID: 71660183
ChEMBL ID
CHEMBL2387704
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 = 1280 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 = 60 nM
   TI
   LI
   LO
   TS