General Information of the Compound
Compound ID
CP0176228
Compound Name
(1S,2S)-N,N,N',N'-tetrapropyl-1,2-dipyridin-2-ylethane-1,2-diamine
    Show/Hide
Structure
Formula
C24H38N4
Molecular Weight
382.596
Canonical SMILES
CCCN(CCC)[C@@H]([C@H](N(CCC)CCC)c1ccccn1)c1ccccn1
    Show/Hide
InChI
InChI=1S/C24H38N4/c1-5-17-27(18-6-2)23(21-13-9-11-15-25-21)24(22-14-10-12-16-26-22)28(19-7-3)20-8-4/h9-16,23-24H,5-8,17-20H2,1-4H3/t23-,24-/m1/s1
    Show/Hide
InChIKey
DYLKNMRHGPNHNA-DNQXCXABSA-N
Physicochemical Property
logP
5.503
Rotatable Bonds
13
Heavy Atom Count
28
Polar Areas
32.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155538348
ChEMBL ID
CHEMBL4476275
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS