General Information of the Compound
Compound ID
CP0377872
Compound Name
N-[[6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-N-(4-methoxyphenyl)acetamide
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Structure
Formula
C26H36N2O2
Molecular Weight
408.586
Canonical SMILES
CCCN(CCC)C1CCc2cc(CN(C(C)=O)c3ccc(OC)cc3)ccc2C1
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InChI
InChI=1S/C26H36N2O2/c1-5-15-27(16-6-2)25-10-9-22-17-21(7-8-23(22)18-25)19-28(20(3)29)24-11-13-26(30-4)14-12-24/h7-8,11-14,17,25H,5-6,9-10,15-16,18-19H2,1-4H3
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InChIKey
KRBRCRMUFRFNGT-UHFFFAOYSA-N
Physicochemical Property
logP
5.2276
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 44353393
ChEMBL ID
CHEMBL338496
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 630.96 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 7.943 nM
   TI
   LI
   LO
   TS