General Information of the Compound
Compound ID
CP0567634
Compound Name
US9278960, 6-16
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Structure
Formula
C19H15FN6O
Molecular Weight
362.368
Canonical SMILES
Cn1cc(cn1)-c1cc(nc2cc(Cc3cnc(F)nc3)ccc12)C(N)=O
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InChI
InChI=1S/C19H15FN6O/c1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-3,5-10H,4H2,1H3,(H2,21,27)
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InChIKey
BAFJECAQHALABW-UHFFFAOYSA-N
Physicochemical Property
logP
2.2541
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
99.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 89554959
ChEMBL ID
CHEMBL3897362
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 = 76 nM
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