General Information of the Compound
Compound ID
CP0459217
Compound Name
2-Bromo-5,6-dichloro-1-(3-methyl-benzyl)-1H-benzoimidazole
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Structure
Formula
C15H11BrCl2N2
Molecular Weight
370.077
Canonical SMILES
Cc1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1
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InChI
InChI=1S/C15H11BrCl2N2/c1-9-3-2-4-10(5-9)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
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InChIKey
OXZSXPGTYQMSMI-UHFFFAOYSA-N
Physicochemical Property
logP
5.46232
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 469159
SID: 14978814
ChEMBL ID
CHEMBL282937
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 = 66000 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