General Information of the Compound
Compound ID
CP0272644
Compound Name
(R)-11-Methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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Structure
Formula
C17H17NO
Molecular Weight
251.329
Canonical SMILES
COc1cccc2C[C@H]3NCCc4cccc(c34)-c12
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InChI
InChI=1S/C17H17NO/c1-19-15-7-3-5-12-10-14-16-11(8-9-18-14)4-2-6-13(16)17(12)15/h2-7,14,18H,8-10H2,1H3/t14-/m1/s1
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InChIKey
WJLQHAGLYICAJM-CQSZACIVSA-N
Physicochemical Property
logP
3.1051
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 10705905
SID: 15740455
ChEMBL ID
CHEMBL119132
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