General Information of the Compound
Compound ID
CP0969164
Compound Name
N-cyclobutyl-1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C27H27N3O2
Molecular Weight
425.532
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCC3)cc21
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InChI
InChI=1S/C27H27N3O2/c1-2-30-24-18-19(25(31)28-22-14-9-15-22)16-17-23(24)29-26(30)27(32,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16-18,22,32H,2,9,14-15H2,1H3,(H,28,31)
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InChIKey
AJWUIVOLEKKHQL-UHFFFAOYSA-N
Physicochemical Property
logP
4.6227
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 126726282
ChEMBL ID
CHEMBL4563593
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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