General Information of the Compound
Compound ID
CP0077387
Compound Name
N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C14H12N4O2S
Molecular Weight
300.343
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1cnc(o1)-c1cccnc1
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InChI
InChI=1S/C14H12N4O2S/c1-8-12(21-14(17-8)18-9(2)19)11-7-16-13(20-11)10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
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InChIKey
QVDJLIIRGGPQQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.12692
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
80.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 71461240
SID: 163524969
ChEMBL ID
CHEMBL2204786
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: PT03071, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 59 nM
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