General Information of the Compound
Compound ID
CP0638837
Compound Name
5-(ethyl(pyrazin-2-yl)amino)-4'-methyl-N-(1-(pyrazin-2-yl)ethyl)biphenyl-3-carboxamide
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Structure
Formula
C26H26N6O
Molecular Weight
438.535
Canonical SMILES
CCN(c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1cnccn1
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InChI
InChI=1S/C26H26N6O/c1-4-32(25-17-28-10-12-30-25)23-14-21(20-7-5-18(2)6-8-20)13-22(15-23)26(33)31-19(3)24-16-27-9-11-29-24/h5-17,19H,4H2,1-3H3,(H,31,33)
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InChIKey
DPIQLPGIJVWHPW-UHFFFAOYSA-N
Physicochemical Property
logP
4.89102
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
83.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 49847953
SID: 104176206
ChEMBL ID
CHEMBL3715517
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: PT05900, P2X purinoceptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4466.84 nM
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