General Information of the Compound
Compound ID
CP0291277
Compound Name
4-methyl-N-(6-morpholin-4-ylpyridin-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
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Structure
Formula
C20H20N4O3
Molecular Weight
364.405
Canonical SMILES
Cc1nc(oc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
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InChI
InChI=1S/C20H20N4O3/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
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InChIKey
DKCOBYSPEYENJA-UHFFFAOYSA-N
Physicochemical Property
logP
3.13392
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
80.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 57401962
ChEMBL ID
CHEMBL1922684
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: PT02536, Diacylglycerol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 7460 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 150 nM