General Information of the Compound
Compound ID
CP0514860
Compound Name
8-(dipropylamino)-1-methyl-3-(2,4,6-trimethylanilino)quinoxalin-2-one
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Structure
Formula
C24H32N4O
Molecular Weight
392.547
Canonical SMILES
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)n(C)c12
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InChI
InChI=1S/C24H32N4O/c1-7-12-28(13-8-2)20-11-9-10-19-22(20)27(6)24(29)23(25-19)26-21-17(4)14-16(3)15-18(21)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,25,26)
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InChIKey
FNKFMDRKLZSFGN-UHFFFAOYSA-N
Physicochemical Property
logP
5.22876
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
50.16
Hydrogen Bond Donor Count
1
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: 70692632
ChEMBL ID
CHEMBL2049191
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 672 nM
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