General Information of the Compound
Compound ID
CP0523128
Compound Name
3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethylphenyl)quinoxaline-2,5-diamine
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Structure
Formula
C24H32N4
Molecular Weight
376.548
Canonical SMILES
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
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InChI
InChI=1S/C24H32N4/c1-7-12-28(13-8-2)21-11-9-10-20-23(21)25-19(6)24(26-20)27-22-17(4)14-16(3)15-18(22)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,26,27)
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InChIKey
RWYLUZYLNSDJGQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.23348
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
41.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 70692630
SID: 163441221
ChEMBL ID
CHEMBL2049188
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)  2
1
IC50 = 155 nM
   TI
   LI
   LO
   TS
2
IC50 = 563 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 155 nM
2 IC50 = 563 nM