General Information of the Compound
Compound ID
CP0884272
Compound Name
azetidin-1-yl(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)methanone
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Structure
Formula
C26H25N3O2
Molecular Weight
411.505
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CCC3)cc21
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InChI
InChI=1S/C26H25N3O2/c1-2-29-23-18-19(24(30)28-16-9-17-28)14-15-22(23)27-25(29)26(31,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-15,18,31H,2,9,16-17H2,1H3
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InChIKey
WVEJMJKICALVDY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1863
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
58.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 126726275
ChEMBL ID
CHEMBL4553830
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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