General Information of the Compound
Compound ID
CP0573364
Compound Name
US9163015, 20
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Structure
Formula
C12H10N4
Molecular Weight
210.24
Canonical SMILES
N(c1n[nH]c2cccnc12)c1ccccc1
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InChI
InChI=1S/C12H10N4/c1-2-5-9(6-3-1)14-12-11-10(15-16-12)7-4-8-13-11/h1-8H,(H2,14,15,16)
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InChIKey
FRSNNDQIELIVAR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7015
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 53375177
SID: 125296937
ChEMBL ID
CHEMBL3975979
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 = 1440 nM
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