General Information of the Compound
Compound ID
CP0510695
Compound Name
3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N-(1-phenylethyl)pyrazin-2-amine
    Show/Hide
Structure
Formula
C22H26N4O
Molecular Weight
362.477
Canonical SMILES
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C)c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H26N4O/c1-5-18-21(24-16(4)17-10-8-7-9-11-17)25-19(6-2)22(26-18)27-20-14-15(3)12-13-23-20/h7-14,16H,5-6H2,1-4H3,(H,24,25)
    Show/Hide
InChIKey
SINICVYFWKASAP-UHFFFAOYSA-N
Physicochemical Property
logP
5.27022
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 44443592
ChEMBL ID
CHEMBL401327
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 = 251 nM
   TI
   LI
   LO
   TS