General Information of the Compound
Compound ID
CP0036019
Compound Name
2-(Phenyl-N-methylamino)-6-(3-acetamidophenyl)pyrazine
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Structure
Formula
C19H19N5O
Molecular Weight
333.395
Canonical SMILES
CN(Nc1cncc(n1)-c1cccc(NC(C)=O)c1)c1ccccc1
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InChI
InChI=1S/C19H19N5O/c1-14(25)21-16-8-6-7-15(11-16)18-12-20-13-19(22-18)23-24(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,21,25)(H,22,23)
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InChIKey
DHWSDQAWLZEOQK-UHFFFAOYSA-N
Physicochemical Property
logP
3.5653
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
70.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 44406731
ChEMBL ID
CHEMBL199805
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 = 49600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 nM