General Information of the Compound
Compound ID
CP0850435
Compound Name
8-Cyano-1-(2-fluoropyridin-3-yl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
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Structure
Formula
C19H14FN5O
Molecular Weight
347.353
Canonical SMILES
COc1cc(C#N)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n12
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InChI
InChI=1S/C19H14FN5O/c1-10-17-11(2)24-19(13-5-4-6-22-18(13)20)25(17)14-7-12(9-21)8-15(26-3)16(14)23-10/h4-8H,1-3H3
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InChIKey
VWEVGRMBISXBDM-UHFFFAOYSA-N
Physicochemical Property
logP
3.58072
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
76.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 127040519
ChEMBL ID
CHEMBL3741518
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 = 1.69 nM
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