General Information of the Compound
Compound ID
CP0250723
Compound Name
(2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
    Show/Hide
Structure
Formula
C9H8Cl2IN3
Molecular Weight
355.994
Canonical SMILES
Clc1cc(I)cc(Cl)c1N=C1NCCN1
    Show/Hide
InChI
InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
    Show/Hide
InChIKey
HSRPTPAPMBHRRJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7783
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
36.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 4656
SID: 16831272
ChEMBL ID
CHEMBL360803
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  2
1
Ki = 0.03388 nM
   TI
   LI
   LO
   TS
2
Ki = 0.7943 nM
   TI
   LI
   LO
   TS