General Information of the Compound
Compound ID
CP0539509
Compound Name
5,6-Dichloro-1-(4-trifluoromethyl-benzyl)-1H-benzoimidazol-2-ylamine
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Structure
Formula
C15H10Cl2F3N3
Molecular Weight
360.166
Canonical SMILES
Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F
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InChI
InChI=1S/C15H10Cl2F3N3/c16-10-5-12-13(6-11(10)17)23(14(21)22-12)7-8-1-3-9(4-2-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
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InChIKey
YVMCQDSKGIJVDG-UHFFFAOYSA-N
Physicochemical Property
logP
4.9924
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 469129
SID: 15723647
ChEMBL ID
CHEMBL25270
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 = 20000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000407 CEM-SS Homo sapiens (Human)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS