General Information of the Compound
Compound ID
CP0955201
Compound Name
(1-ethyl-6-(1-ethyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C27H26N4O
Molecular Weight
422.532
Canonical SMILES
CCn1ccc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
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InChI
InChI=1S/C27H26N4O/c1-3-30-18-17-23(29-30)20-15-16-24-25(19-20)31(4-2)26(28-24)27(32,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,32H,3-4H2,1-2H3
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InChIKey
QCZOFMMIIFZOAP-UHFFFAOYSA-N
Physicochemical Property
logP
5.2238
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
55.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 126726451
ChEMBL ID
CHEMBL4522530
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 = 250 nM
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