General Information of the Compound
Compound ID
CP0150111
Compound Name
(R)-11-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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Structure
Formula
C20H23NO
Molecular Weight
293.41
Canonical SMILES
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC)c-31
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InChI
InChI=1S/C20H23NO/c1-3-11-21-12-10-14-6-4-8-16-19(14)17(21)13-15-7-5-9-18(22-2)20(15)16/h4-9,17H,3,10-13H2,1-2H3/t17-/m1/s1
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InChIKey
PZJGVCFSNKRINT-QGZVFWFLSA-N
Physicochemical Property
logP
4.2275
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 13922231
ChEMBL ID
CHEMBL119154
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 = 826 nM
   TI
   LI
   LO
   TS