General Information of the Compound
Compound ID
CP0479224
Compound Name
US9163015, 41
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Structure
Formula
C10H6ClFN4S
Molecular Weight
268.704
Canonical SMILES
Fc1ccc(Nc2n[nH]c3scnc23)cc1Cl
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InChI
InChI=1S/C10H6ClFN4S/c11-6-3-5(1-2-7(6)12)14-9-8-10(16-15-9)17-4-13-8/h1-4H,(H2,14,15,16)
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InChIKey
LTYZNZOXSOBCID-UHFFFAOYSA-N
Physicochemical Property
logP
3.5555
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 69938798
ChEMBL ID
CHEMBL3982008
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 = 1180 nM
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