General Information of the Compound
Compound ID
CP0260180
Compound Name
N-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
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Structure
Formula
C19H17F3N4O3
Molecular Weight
406.364
Canonical SMILES
CN(CCO)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
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InChI
InChI=1S/C19H17F3N4O3/c1-26(9-10-27)14-8-7-13(11-23-14)24-17(28)15-16(19(20,21)22)29-18(25-15)12-5-3-2-4-6-12/h2-8,11,27H,9-10H2,1H3,(H,24,28)
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InChIKey
QRWPZKBCYHRTOL-UHFFFAOYSA-N
Physicochemical Property
logP
3.4362
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
91.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 57393260
ChEMBL ID
CHEMBL1922688
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 = 8090 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 554 nM