General Information of the Compound
Compound ID
CP0567721
Compound Name
US9278960, 6-10
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Structure
Formula
C23H18FN3O
Molecular Weight
371.415
Canonical SMILES
Cc1ccncc1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
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InChI
InChI=1S/C23H18FN3O/c1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15/h2-9,11-13H,10H2,1H3,(H2,25,28)
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InChIKey
LZNPISMSQMHQPS-UHFFFAOYSA-N
Physicochemical Property
logP
4.43402
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
68.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 71566274
SID: 163592640
ChEMBL ID
CHEMBL3925507
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000389 CHO-DXB11 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 31 nM
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