General Information of the Compound
Compound ID
CP0318541
Compound Name
2-[(3-phenylbenzimidazol-5-yl)oxymethyl]quinoline
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Structure
Formula
C23H17N3O
Molecular Weight
351.409
Canonical SMILES
C(Oc1ccc2ncn(-c3ccccc3)c2c1)c1ccc2ccccc2n1
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InChI
InChI=1S/C23H17N3O/c1-2-7-19(8-3-1)26-16-24-22-13-12-20(14-23(22)26)27-15-18-11-10-17-6-4-5-9-21(17)25-18/h1-14,16H,15H2
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InChIKey
CLRZKWDDCHPPFI-UHFFFAOYSA-N
Physicochemical Property
logP
5.1527
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 76313715
ChEMBL ID
CHEMBL3094298
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 = 309 nM
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