General Information of the Compound
Compound ID
CP0233932
Compound Name
2-[(2-methyl-3-phenylbenzimidazol-5-yl)oxymethyl]quinoline
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Structure
Formula
C24H19N3O
Molecular Weight
365.436
Canonical SMILES
Cc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1
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InChI
InChI=1S/C24H19N3O/c1-17-25-23-14-13-21(15-24(23)27(17)20-8-3-2-4-9-20)28-16-19-12-11-18-7-5-6-10-22(18)26-19/h2-15H,16H2,1H3
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InChIKey
QBYKGPDSZZURMK-UHFFFAOYSA-N
Physicochemical Property
logP
5.46112
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 76328159
ChEMBL ID
CHEMBL3094308
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 305 nM
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