General Information of the Compound
Compound ID
CP0222632
Compound Name
2-[(6-methoxy-3-phenylbenzimidazol-5-yl)oxymethyl]quinoline
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Structure
Formula
C24H19N3O2
Molecular Weight
381.435
Canonical SMILES
COc1cc2ncn(-c3ccccc3)c2cc1OCc1ccc2ccccc2n1
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InChI
InChI=1S/C24H19N3O2/c1-28-23-13-21-22(27(16-25-21)19-8-3-2-4-9-19)14-24(23)29-15-18-12-11-17-7-5-6-10-20(17)26-18/h2-14,16H,15H2,1H3
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InChIKey
IAYIPSAVECGRQO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1613
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
49.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 76328157
ChEMBL ID
CHEMBL3094304
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 = 214 nM
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