General Information of the Compound
Compound ID
CP0459834
Compound Name
N-(2-ethoxy-1-phenylethyl)-3,6-diethyl-5-(4-methylpyridin-2-yl)oxypyrazin-2-amine
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Structure
Formula
C24H30N4O2
Molecular Weight
406.53
Canonical SMILES
CCOCC(Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1
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InChI
InChI=1S/C24H30N4O2/c1-5-19-23(27-21(16-29-7-3)18-11-9-8-10-12-18)26-20(6-2)24(28-19)30-22-15-17(4)13-14-25-22/h8-15,21H,5-7,16H2,1-4H3,(H,26,27)
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InChIKey
ZYVUTMAUPHRUIF-UHFFFAOYSA-N
Physicochemical Property
logP
5.28682
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
69.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 44443593
ChEMBL ID
CHEMBL250618
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 = 384 nM
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