General Information of the Compound
Compound ID
CP0567624
Compound Name
US9278960, 3-11
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Structure
Formula
C24H19FN4O2
Molecular Weight
414.44
Canonical SMILES
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(cn3)C(=O)C3CC3)cc2n1
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InChI
InChI=1S/C24H19FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16H,2-3,12H2,(H2,26,31)
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InChIKey
LTQDWLBJRNEBCU-UHFFFAOYSA-N
Physicochemical Property
logP
3.9773
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
90.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 71565738
SID: 163592044
ChEMBL ID
CHEMBL3952509
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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