General Information of the Compound
Compound ID
CP0146672
Compound Name
(R)-6-Benzyl-11-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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Structure
Formula
C24H23NO
Molecular Weight
341.454
Canonical SMILES
COc1cccc2C[C@H]3N(Cc4ccccc4)CCc4cccc(c34)-c12
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InChI
InChI=1S/C24H23NO/c1-26-22-12-6-10-19-15-21-23-18(9-5-11-20(23)24(19)22)13-14-25(21)16-17-7-3-2-4-8-17/h2-12,21H,13-16H2,1H3/t21-/m1/s1
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InChIKey
PBBOPFQFJAEPAI-OAQYLSRUSA-N
Physicochemical Property
logP
5.0177
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 10712278
SID: 15747304
ChEMBL ID
CHEMBL119401
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 > 1000 nM
   TI
   LI
   LO
   TS