General Information of the Compound
Compound ID
CP0560708
Compound Name
US9278960, 1-9
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Structure
Formula
C16H9ClF2N2O
Molecular Weight
318.71
Canonical SMILES
NC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1
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InChI
InChI=1S/C16H9ClF2N2O/c17-8-5-11(18)15(12(19)6-8)10-7-14(16(20)22)21-13-4-2-1-3-9(10)13/h1-7H,(H2,20,22)
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InChIKey
NVJCHSUTTDBONN-UHFFFAOYSA-N
Physicochemical Property
logP
3.9323
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
55.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 71566435
SID: 163592806
ChEMBL ID
CHEMBL3972482
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 = 171 nM
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