General Information of the Compound
Compound ID
CP0357881
Compound Name
N,N-dimethyl-2-(6-naphthalen-2-ylindol-1-yl)ethanamine
    Show/Hide
Structure
Formula
C22H22N2
Molecular Weight
314.432
Canonical SMILES
CN(C)CCn1ccc2ccc(cc12)-c1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C22H22N2/c1-23(2)13-14-24-12-11-18-8-10-21(16-22(18)24)20-9-7-17-5-3-4-6-19(17)15-20/h3-12,15-16H,13-14H2,1-2H3
    Show/Hide
InChIKey
NGGLCOOMLYDRSU-UHFFFAOYSA-N
Physicochemical Property
logP
5.0231
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 44358407
ChEMBL ID
CHEMBL139438
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: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 57 nM
   TI
   LI
   LO
   TS