General Information of the Compound
Compound ID
CP0392564
Compound Name
5,6-Dichloro-1-(4-chloro-benzyl)-1H-benzoimidazol-2-ylamine
    Show/Hide
Structure
Formula
C14H10Cl3N3
Molecular Weight
326.614
Canonical SMILES
Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C14H10Cl3N3/c15-9-3-1-8(2-4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
    Show/Hide
InChIKey
CMTBKRRPDXVGHL-UHFFFAOYSA-N
Physicochemical Property
logP
4.627
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 469123
SID: 15896085
ChEMBL ID
CHEMBL22714
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: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000407 CEM-SS Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000227 HFF Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000407 CEM-SS Homo sapiens (Human)  1
1
IC50 = 32000 nM
   TI
   LI
   LO
   TS