General Information of the Compound
Compound ID
CP0139223
Compound Name
2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine
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Structure
Formula
C16H14N4O
Molecular Weight
278.315
Canonical SMILES
Nc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1
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InChI
InChI=1S/C16H14N4O/c17-15-10-18-11-16(20-15)19-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H3,17,19,20)
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InChIKey
VUMYRGFVDHGXHW-UHFFFAOYSA-N
Physicochemical Property
logP
3.5947
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
73.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 70687393
ChEMBL ID
CHEMBL2012039
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1800 nM
   TI
   LI
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   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS