General Information of the Compound
Compound ID
CP0528215
Compound Name
3,6-dimethyl-5-(4-methylpyridin-2-yloxy)-N-(1-phenylpropyl)pyrazin-2-amine
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Structure
Formula
C21H24N4O
Molecular Weight
348.45
Canonical SMILES
CCC(Nc1nc(C)c(Oc2cc(C)ccn2)nc1C)c1ccccc1
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InChI
InChI=1S/C21H24N4O/c1-5-18(17-9-7-6-8-10-17)25-20-15(3)24-21(16(4)23-20)26-19-13-14(2)11-12-22-19/h6-13,18H,5H2,1-4H3,(H,23,25)
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InChIKey
WREQFRHVBVFFIS-UHFFFAOYSA-N
Physicochemical Property
logP
5.15236
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44443597
ChEMBL ID
CHEMBL248623
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 = 2123 nM
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