General Information of the Compound
Compound ID
CP0959020
Compound Name
(7-chloro-1-ethyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C22H19ClN2O
Molecular Weight
362.86
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cccc(Cl)c21
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InChI
InChI=1S/C22H19ClN2O/c1-2-25-20-18(23)14-9-15-19(20)24-21(25)22(26,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,26H,2H2,1H3
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InChIKey
SNFLLNILEBWDGJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9938
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 126726249
ChEMBL ID
CHEMBL4539533
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS