General Information of the Compound
Compound ID
CP0499307
Compound Name
(2-{2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl}ethyl)dimethylamine, 24
    Show/Hide
Structure
Formula
C13H19N3
Molecular Weight
217.316
Canonical SMILES
CCc1[nH]c2ccncc2c1CCN(C)C
    Show/Hide
InChI
InChI=1S/C13H19N3/c1-4-12-10(6-8-16(2)3)11-9-14-7-5-13(11)15-12/h5,7,9,15H,4,6,8H2,1-3H3
    Show/Hide
InChIKey
SSAOUZNKJBUKRO-UHFFFAOYSA-N
Physicochemical Property
logP
2.2294
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 71463521
ChEMBL ID
CHEMBL2260379
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2900 nM
   TI
   LI
   LO
   TS