General Information of the Compound
Compound ID
CP0538720
Compound Name
3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N,N-dipropylpyrazin-2-amine
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Structure
Formula
C20H30N4O
Molecular Weight
342.487
Canonical SMILES
CCCN(CCC)c1nc(CC)c(Oc2cc(C)ccn2)nc1CC
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InChI
InChI=1S/C20H30N4O/c1-6-12-24(13-7-2)19-16(8-3)23-20(17(9-4)22-19)25-18-14-15(5)10-11-21-18/h10-11,14H,6-9,12-13H2,1-5H3
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InChIKey
AVHWNDQSZCKEDJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.72352
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
51.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44443570
ChEMBL ID
CHEMBL400154
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 = 711 nM
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