General Information of the Compound
Compound ID
CP0484732
Compound Name
8-(dipropylamino)-1-methyl-3-(N,2,4,6-tetramethylanilino)quinoxalin-2-one
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Structure
Formula
C25H34N4O
Molecular Weight
406.574
Canonical SMILES
CCCN(CCC)c1cccc2nc(N(C)c3c(C)cc(C)cc3C)c(=O)n(C)c12
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InChI
InChI=1S/C25H34N4O/c1-8-13-29(14-9-2)21-12-10-11-20-23(21)28(7)25(30)24(26-20)27(6)22-18(4)15-17(3)16-19(22)5/h10-12,15-16H,8-9,13-14H2,1-7H3
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InChIKey
NXJKWIRNXUCNSF-UHFFFAOYSA-N
Physicochemical Property
logP
5.25306
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 70692633
ChEMBL ID
CHEMBL2049192
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 > 1000 nM
   TI
   LI
   LO
   TS