General Information of the Compound
Compound ID
CP0887714
Compound Name
N-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2-hydroxyacetamide
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Structure
Formula
C24H23N3O3
Molecular Weight
401.466
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CO)cc21
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InChI
InChI=1S/C24H23N3O3/c1-2-27-21-15-19(25-22(29)16-28)13-14-20(21)26-23(27)24(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28,30H,2,16H2,1H3,(H,25,29)
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InChIKey
OZQUGKBZCNQVOE-UHFFFAOYSA-N
Physicochemical Property
logP
3.2712
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
87.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 126729861
ChEMBL ID
CHEMBL4574689
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