General Information of the Compound
Compound ID
CP0477963
Compound Name
3,6-dimethyl-5-(4-methylpyridin-2-yloxy)-N-(pentan-3-yl)pyrazin-2-amine
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Structure
Formula
C17H24N4O
Molecular Weight
300.406
Canonical SMILES
CCC(CC)Nc1nc(C)c(Oc2cc(C)ccn2)nc1C
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InChI
InChI=1S/C17H24N4O/c1-6-14(7-2)21-16-12(4)20-17(13(5)19-16)22-15-10-11(3)8-9-18-15/h8-10,14H,6-7H2,1-5H3,(H,19,21)
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InChIKey
SOCOWSRTCGCCFM-UHFFFAOYSA-N
Physicochemical Property
logP
4.18966
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 44443567
ChEMBL ID
CHEMBL401295
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 = 401 nM
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