General Information of the Compound
Compound ID
CP0524568
Compound Name
5-(2,6-dimethoxypyridin-3-yl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
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Structure
Formula
C20H30N4O2
Molecular Weight
358.486
Canonical SMILES
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)nc1OC
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InChI
InChI=1S/C20H30N4O2/c1-7-13(8-2)21-19-16(10-4)22-18(15(9-3)23-19)14-11-12-17(25-5)24-20(14)26-6/h11-13H,7-10H2,1-6H3,(H,21,23)
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InChIKey
GJYLEJKYONHKBE-UHFFFAOYSA-N
Physicochemical Property
logP
4.2811
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
69.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 22249041
SID: 124769679
ChEMBL ID
CHEMBL1806958
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
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 11.6 nM
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