General Information of the Compound
Compound ID
CP0398588
Compound Name
4-fluoro-N-[5-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide
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Structure
Formula
C18H10F4N2O3
Molecular Weight
378.281
Canonical SMILES
Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3ccccc3Oc12
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InChI
InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)26-15(10)11)16(25)24-17-23-8-13(27-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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InChIKey
YZKXRUFKGGBNGB-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).

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PubChem ID
CID: 10362260
SID: 15375600
ChEMBL ID
CHEMBL494960
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 = 21 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 131 nM
   TI
   LI
   LO
   TS