General Information of the Compound
Compound ID
CP0205370
Compound Name
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
    Show/Hide
Synonyms
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
CHEMBL425576
SCHEMBL1122285
    Show/Hide
Structure
Formula
C18H16N4O
Molecular Weight
304.353
Canonical SMILES
CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccccc2)n1
    Show/Hide
InChI
InChI=1S/C18H16N4O/c1-13(23)20-16-9-5-6-14(10-16)17-11-19-12-18(22-17)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,20,23)(H,21,22)
    Show/Hide
InChIKey
MKRMZWIJCMWBDU-UHFFFAOYSA-N
Physicochemical Property
logP
3.8456
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
66.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 11515006
SID: 16616976
ChEMBL ID
CHEMBL425576
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7900 nM
Clinical Information about the Compound
Drug 1 ( 2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine )
Drug Name 2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
Target(s)
B-Raf messenger RNA (BRAF mRNA)
Inhibitor