General Information of the Compound
Compound ID
CP0224695
Compound Name
N-[5-[2-(3-hydroxypiperidin-1-yl)-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C14H18N4O3S
Molecular Weight
322.39
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1cnc(o1)N1CCCC(O)C1
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InChI
InChI=1S/C14H18N4O3S/c1-8-12(22-13(16-8)17-9(2)19)11-6-15-14(21-11)18-5-3-4-10(20)7-18/h6,10,20H,3-5,7H2,1-2H3,(H,16,17,19)
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InChIKey
HDVSIMMLUNLLCM-UHFFFAOYSA-N
Physicochemical Property
logP
2.02602
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
91.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 71452284
SID: 163525187
ChEMBL ID
CHEMBL2204794
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 = 237 nM
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