General Information of the Compound
Compound ID
CP0484572
Compound Name
(R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-11-carboxylic acid amide
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Structure
Formula
C18H18N2O
Molecular Weight
278.355
Canonical SMILES
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C(N)=O)c-31
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InChI
InChI=1S/C18H18N2O/c1-20-9-8-11-4-2-6-13-16-12(10-15(20)17(11)13)5-3-7-14(16)18(19)21/h2-7,15H,8-10H2,1H3,(H2,19,21)/t15-/m1/s1
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InChIKey
DUINJXQXGUDXQC-OAHLLOKOSA-N
Physicochemical Property
logP
2.5376
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 10684005
SID: 15717483
ChEMBL ID
CHEMBL324073
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 > 10000 nM
   TI
   LI
   LO
   TS