General Information of the Compound
Compound ID
CP0260179
Compound Name
5-chloro-N-(6-morpholin-4-ylpyridin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
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Structure
Formula
C19H17ClN4O3
Molecular Weight
384.823
Canonical SMILES
Clc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
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InChI
InChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
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InChIKey
QRBGHYWWUNTFCH-UHFFFAOYSA-N
Physicochemical Property
logP
3.4789
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: 16757106
SID: 26746026
ChEMBL ID
CHEMBL1922680
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 = 2990 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 610 nM