General Information of the Compound
Compound ID
CP0951029
Compound Name
8-(6-Fluoropyridin-3-yl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
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Structure
Formula
C18H15FN4O
Molecular Weight
322.343
Canonical SMILES
COc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)ncn12
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InChI
InChI=1S/C18H15FN4O/c1-10-18-11(2)22-17-14(23(18)9-21-10)6-13(7-15(17)24-3)12-4-5-16(19)20-8-12/h4-9H,1-3H3
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InChIKey
GSINRKXXCHWAGQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.70904
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 127038510
ChEMBL ID
CHEMBL3741213
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 26.3 nM
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