General Information of the Compound
Compound ID
CP0496473
Compound Name
N-ethyl-6-[2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)ethyl]-4-morpholin-4-ylpyridin-2-amine
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Structure
Formula
C19H28N4O2
Molecular Weight
344.459
Canonical SMILES
CCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
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InChI
InChI=1S/C19H28N4O2/c1-4-17-14(3)21-19(25-17)7-6-15-12-16(13-18(22-15)20-5-2)23-8-10-24-11-9-23/h12-13H,4-11H2,1-3H3,(H,20,22)
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InChIKey
FFEAWDBJXSAWIY-UHFFFAOYSA-N
Physicochemical Property
logP
2.99402
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
63.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 45268225
ChEMBL ID
CHEMBL564513
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: PT02259, Neuropeptide Y receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 16000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS