General Information of the Compound
Compound ID
CP0299357
Compound Name
N-cyclohexyl-3-[3-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-5-yl]propanamide
    Show/Hide
Structure
Formula
C20H23FN4O4
Molecular Weight
402.426
Canonical SMILES
Oc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1
    Show/Hide
InChI
InChI=1S/C20H23FN4O4/c21-14-10-12(6-7-16(14)26)15-11-17(28-24-15)20-23-19(29-25-20)9-8-18(27)22-13-4-2-1-3-5-13/h6-7,10,13,17,26H,1-5,8-9,11H2,(H,22,27)
    Show/Hide
InChIKey
QEZDZADMWFLFMM-UHFFFAOYSA-N
Physicochemical Property
logP
3.1615
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
109.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 136123459
ChEMBL ID
CHEMBL559258
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 = 25000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 nM