General Information of the Compound
Compound ID
CP0453611
Compound Name
6-(2-(5-ethyl-4-methyloxazol-2-yl)ethyl)-4-morpholino-N-propylpyridin-2-amine
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Structure
Formula
C20H30N4O2
Molecular Weight
358.486
Canonical SMILES
CCCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
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InChI
InChI=1S/C20H30N4O2/c1-4-8-21-19-14-17(24-9-11-25-12-10-24)13-16(23-19)6-7-20-22-15(3)18(5-2)26-20/h13-14H,4-12H2,1-3H3,(H,21,23)
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InChIKey
JMIRJFLHXIZAGV-UHFFFAOYSA-N
Physicochemical Property
logP
3.38412
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
63.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 45269117
ChEMBL ID
CHEMBL559593
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 = 9000 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 = 480 nM
   TI
   LI
   LO
   TS