General Information of the Compound
Compound ID
CP0294948
Compound Name
N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide
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Structure
Formula
C15H19FN2O3
Molecular Weight
294.326
Canonical SMILES
CC(C)(C)C(=O)NCC1CC(=NO1)c1ccc(O)c(F)c1
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InChI
InChI=1S/C15H19FN2O3/c1-15(2,3)14(20)17-8-10-7-12(18-21-10)9-4-5-13(19)11(16)6-9/h4-6,10,19H,7-8H2,1-3H3,(H,17,20)
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InChIKey
XVCZEEJHXIXSLJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1866
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
70.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 135965914
ChEMBL ID
CHEMBL559497
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: PT01234, Macrophage migration inhibitory factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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   LI
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   TS