General Information of the Compound
Compound ID
CP0442525
Compound Name
3-methyl-4-phenyl-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indole
    Show/Hide
Structure
Formula
C21H24N2
Molecular Weight
304.437
Canonical SMILES
CN1CCc2c(CCCC1c1ccccc1)[nH]c1ccccc21
    Show/Hide
InChI
InChI=1S/C21H24N2/c1-23-15-14-18-17-10-5-6-11-19(17)22-20(18)12-7-13-21(23)16-8-3-2-4-9-16/h2-6,8-11,21-22H,7,12-15H2,1H3
    Show/Hide
InChIKey
NPHHQESYNYBBOA-UHFFFAOYSA-N
Physicochemical Property
logP
4.7198
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11623652
SID: 16726641
ChEMBL ID
CHEMBL201334
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki ~ 100 nM
   TI
   LI
   LO
   TS