General Information of the Compound
Compound ID
CP0423274
Compound Name
US9192603, 5
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Structure
Formula
C16H12FN3O3S2
Molecular Weight
377.422
Canonical SMILES
Fc1ccccc1CS(=O)(=O)c1cnc(NC(=O)c2ccccn2)s1
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InChI
InChI=1S/C16H12FN3O3S2/c17-12-6-2-1-5-11(12)10-25(22,23)14-9-19-16(24-14)20-15(21)13-7-3-4-8-18-13/h1-9H,10H2,(H,19,20,21)
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InChIKey
JOJWEJYXHBCEJT-UHFFFAOYSA-N
Physicochemical Property
logP
2.9034
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
89.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 54670120
SID: 131466503
ChEMBL ID
CHEMBL3911644
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 398 nM
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