General Information of the Compound
Compound ID
CP0572364
Compound Name
US9163015, 30
    Show/Hide
Structure
Formula
C15H15ClN6O
Molecular Weight
330.779
Canonical SMILES
Clc1cc(Nc2n[nH]c3cccnc23)cnc1N1CCOCC1
    Show/Hide
InChI
InChI=1S/C15H15ClN6O/c16-11-8-10(9-18-15(11)22-4-6-23-7-5-22)19-14-13-12(20-21-14)2-1-3-17-13/h1-3,8-9H,4-7H2,(H2,19,20,21)
    Show/Hide
InChIKey
RPEKYFVVWRUAQX-UHFFFAOYSA-N
Physicochemical Property
logP
2.5865
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
78.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 53373768
SID: 125295451
ChEMBL ID
CHEMBL3983519
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 = 2380 nM
   TI
   LI
   LO
   TS