General Information of the Compound
Compound ID
CP0550634
Compound Name
US9278960, 1-19
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Structure
Formula
C16H10ClFN2O
Molecular Weight
300.72
Canonical SMILES
NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccccc2n1
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InChI
InChI=1S/C16H10ClFN2O/c17-13-7-9(18)5-6-10(13)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21)
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InChIKey
TTZRFUZXVJEIQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7932
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
55.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 71566440
SID: 163592811
ChEMBL ID
CHEMBL3899883
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 = 100 nM
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