General Information of the Compound
Compound ID
CP0702553
Compound Name
2-(4-Fluorophenyl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxamide
    Show/Hide
Structure
Formula
C19H19FN4O
Molecular Weight
338.386
Canonical SMILES
CC(C)N(C)c1nc2cc(C(N)=O)ccc2nc1-c1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C19H19FN4O/c1-11(2)24(3)19-17(12-4-7-14(20)8-5-12)22-15-9-6-13(18(21)25)10-16(15)23-19/h4-11H,1-3H3,(H2,21,25)
    Show/Hide
InChIKey
MYVUPYMOACANDZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3794
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
72.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 60167941
SID: 144117006
ChEMBL ID
CHEMBL3714780
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: PT01628, PAS domain-containing serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 <= 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 <= 10000 nM