General Information of the Compound
Compound ID
CP0884270
Compound Name
N-(2-(dimethylamino)ethyl)-1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C27H30N4O2
Molecular Weight
442.563
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCN(C)C)cc21
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InChI
InChI=1S/C27H30N4O2/c1-4-31-24-19-20(25(32)28-17-18-30(2)3)15-16-23(24)29-26(31)27(33,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,33H,4,17-18H2,1-3H3,(H,28,32)
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InChIKey
WJBGFEXPSWEWHU-UHFFFAOYSA-N
Physicochemical Property
logP
3.6318
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
70.39
Hydrogen Bond Donor Count
2
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: 126726265
ChEMBL ID
CHEMBL4590064
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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