General Information of the Compound
Compound ID
CP0260178
Compound Name
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
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Structure
Formula
C19H16F3N5O3
Molecular Weight
419.363
Canonical SMILES
FC(F)(F)c1oc(nc1C(=O)Nc1cnc(nc1)N1CCOCC1)-c1ccccc1
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InChI
InChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)12-4-2-1-3-5-12)16(28)25-13-10-23-18(24-11-13)27-6-8-29-9-7-27/h1-5,10-11H,6-9H2,(H,25,28)
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InChIKey
HMNPFHJNEURHNP-UHFFFAOYSA-N
Physicochemical Property
logP
3.2393
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
93.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 16757014
SID: 26745925
ChEMBL ID
CHEMBL1922678
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 = 1500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 380 nM