General Information of the Compound
Compound ID
CP0969168
Compound Name
N-(3,3-difluorocyclobutyl)-1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C27H25F2N3O2
Molecular Weight
461.512
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CC(F)(F)C3)cc21
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InChI
InChI=1S/C27H25F2N3O2/c1-2-32-23-15-18(24(33)30-21-16-26(28,29)17-21)13-14-22(23)31-25(32)27(34,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21,34H,2,16-17H2,1H3,(H,30,33)
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InChIKey
GANGJRACGSLDGD-UHFFFAOYSA-N
Physicochemical Property
logP
4.8679
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 126726460
ChEMBL ID
CHEMBL4555995
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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