General Information of the Compound
Compound ID
CP0333239
Compound Name
(R)-11-(2-Methoxy-phenyl)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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Structure
Formula
C24H23NO
Molecular Weight
341.454
Canonical SMILES
COc1ccccc1-c1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
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InChI
InChI=1S/C24H23NO/c1-25-14-13-16-7-5-11-20-23-17(15-21(25)24(16)20)8-6-10-19(23)18-9-3-4-12-22(18)26-2/h3-12,21H,13-15H2,1-2H3/t21-/m1/s1
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InChIKey
LEQQCMUWPDWHHF-OAQYLSRUSA-N
Physicochemical Property
logP
5.1143
Rotatable Bonds
2
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: 10736014
SID: 15772212
ChEMBL ID
CHEMBL333085
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 = 1330 nM
   TI
   LI
   LO
   TS