General Information of the Compound
Compound ID
CP0954362
Compound Name
2-acetamido-N-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)acetamide
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Structure
Formula
C26H26N4O3
Molecular Weight
442.519
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CNC(C)=O)cc21
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InChI
InChI=1S/C26H26N4O3/c1-3-30-23-16-21(28-24(32)17-27-18(2)31)14-15-22(23)29-25(30)26(33,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,33H,3,17H2,1-2H3,(H,27,31)(H,28,32)
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InChIKey
AMEICVSIBMHDIV-UHFFFAOYSA-N
Physicochemical Property
logP
3.415
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
96.25
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 126729842
ChEMBL ID
CHEMBL4520189
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
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS