General Information of the Compound
Compound ID
CP0467608
Compound Name
2-fluoro-N-[5-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide
    Show/Hide
Structure
Formula
C18H10F4N2O3
Molecular Weight
378.281
Canonical SMILES
Fc1ccc2Oc3ccccc3C(C(=O)Nc3ncc(o3)C(F)(F)F)c2c1
    Show/Hide
InChI
InChI=1S/C18H10F4N2O3/c19-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)26-13)16(25)24-17-23-8-14(27-17)18(20,21)22/h1-8,15H,(H,23,24,25)
    Show/Hide
InChIKey
DMOMHABJGPEXOA-UHFFFAOYSA-N
Physicochemical Property
logP
4.7088
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
64.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10474765
SID: 15498416
ChEMBL ID
CHEMBL522875
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 20 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 67 nM
   TI
   LI
   LO
   TS