General Information of the Compound
Compound ID
CP0386288
Compound Name
4,5-difluoro-N-(5-(trifluoromethyl)oxazol-2-yl)-9H-xanthene-9-carboxamide
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Structure
Formula
C18H9F5N2O3
Molecular Weight
396.271
Canonical SMILES
Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
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InChI
InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-7-12(27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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InChIKey
LUQUKBPLHLOGJN-UHFFFAOYSA-N
Physicochemical Property
logP
4.8479
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
64.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44573738
ChEMBL ID
CHEMBL494766
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 = 25 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 162 nM
   TI
   LI
   LO
   TS