General Information of the Compound
Compound ID
CP0964259
Compound Name
1-ethyl-2-(hydroxydiphenylmethyl)-N-(piperidin-4-ylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C29H32N4O2
Molecular Weight
468.601
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC3CCNCC3)cc21
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InChI
InChI=1S/C29H32N4O2/c1-2-33-26-19-22(27(34)31-20-21-15-17-30-18-16-21)13-14-25(26)32-28(33)29(35,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21,30,35H,2,15-18,20H2,1H3,(H,31,34)
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InChIKey
DUZCHSOGRDGKHV-UHFFFAOYSA-N
Physicochemical Property
logP
4.0698
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
79.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 126726294
ChEMBL ID
CHEMBL4562043
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 = 50 nM
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