General Information of the Compound
Compound ID
CP0374127
Compound Name
1-(3,5-Bis-trifluoromethyl-benzyl)-2-bromo-5,6-dichloro-1H-benzoimidazole
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Structure
Formula
C16H7BrCl2F6N2
Molecular Weight
492.044
Canonical SMILES
FC(F)(F)c1cc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc(c1)C(F)(F)F
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InChI
InChI=1S/C16H7BrCl2F6N2/c17-14-26-12-4-10(18)11(19)5-13(12)27(14)6-7-1-8(15(20,21)22)3-9(2-7)16(23,24)25/h1-5H,6H2
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InChIKey
VLTBSMKQQCTCOJ-UHFFFAOYSA-N
Physicochemical Property
logP
7.1915
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 469162
SID: 14985724
ChEMBL ID
CHEMBL280386
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 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000220 KB Homo sapiens (Human)  1
1
IC50 = 70000 nM
   TI
   LI
   LO
   TS
CL000407 CEM-SS Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS