General Information of the Compound
Compound ID
CP0920511
Compound Name
(3-sec-Butyl-phenyl)-[1-(4-sec-butyl-phenyl)-imidazolidin-(2E)-ylidene]-amine; compound with methanesulfonic acid
    Show/Hide
Structure
Formula
C24H35N3O3S
Molecular Weight
445.629
Canonical SMILES
CCC(C)c1ccc(N2CCN=C2Nc2cccc(C(C)CC)c2)cc1.CS(=O)(=O)O
    Show/Hide
InChI
InChI=1S/C23H31N3.CH4O3S/c1-5-17(3)19-10-12-22(13-11-19)26-15-14-24-23(26)25-21-9-7-8-20(16-21)18(4)6-2;1-5(2,3)4/h7-13,16-18H,5-6,14-15H2,1-4H3,(H,24,25);1H3,(H,2,3,4)
    Show/Hide
InChIKey
YHCDXQMLDUYNTD-UHFFFAOYSA-N
Physicochemical Property
logP
5.5057
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 44334285
ChEMBL ID
CHEMBL103642
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: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 780 nM
   TI
   LI
   LO
   TS