General Information of the Compound
Compound ID
CP0405040
Compound Name
6-(2-(5-ethyl-4-methyloxazol-2-yl)ethyl)-N-(2-methoxyethyl)-4-morpholinopyridin-2-amine
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Structure
Formula
C20H30N4O3
Molecular Weight
374.485
Canonical SMILES
CCc1oc(CCc2cc(cc(NCCOC)n2)N2CCOCC2)nc1C
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InChI
InChI=1S/C20H30N4O3/c1-4-18-15(2)22-20(27-18)6-5-16-13-17(24-8-11-26-12-9-24)14-19(23-16)21-7-10-25-3/h13-14H,4-12H2,1-3H3,(H,21,23)
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InChIKey
LKILDLFETJKHNP-UHFFFAOYSA-N
Physicochemical Property
logP
2.62052
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
72.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 45267382
ChEMBL ID
CHEMBL562677
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 = 13000 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 = 900 nM
   TI
   LI
   LO
   TS