General Information of the Compound
Compound ID
CP0941934
Compound Name
N-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-3-methoxypropanamide
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Structure
Formula
C26H27N3O3
Molecular Weight
429.52
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CCOC)cc21
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InChI
InChI=1S/C26H27N3O3/c1-3-29-23-18-21(27-24(30)16-17-32-2)14-15-22(23)28-25(29)26(31,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,31H,3,16-17H2,1-2H3,(H,27,30)
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InChIKey
ZJSBEOSXLIHSRA-UHFFFAOYSA-N
Physicochemical Property
logP
4.3154
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
76.38
Hydrogen Bond Donor Count
2
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: 126729855
ChEMBL ID
CHEMBL4534058
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