General Information of the Compound
Compound ID
CP0479938
Compound Name
N,N-dipropyl-5,6,7,8-tetrahydroquinolin-6-amine
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Structure
Formula
C15H24N2
Molecular Weight
232.371
Canonical SMILES
CCCN(CCC)C1CCc2ncccc2C1
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InChI
InChI=1S/C15H24N2/c1-3-10-17(11-4-2)14-7-8-15-13(12-14)6-5-9-16-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3
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InChIKey
YEYNJASJMPEAEX-UHFFFAOYSA-N
Physicochemical Property
logP
3.0609
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 10105359
SID: 15093498
ChEMBL ID
CHEMBL105977
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 272 nM
   TI
   LI
   LO
   TS
2
Ki = 466 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 4.97 nM
   TI
   LI
   LO
   TS