General Information of the Compound
Compound ID
CP0384635
Compound Name
6-methyl-5-[2-methyl-4-(1H-pyrazolo[4,3-c]pyridin-4-yloxy)phenyl]imidazo[1,2-a]pyrazine
    Show/Hide
Structure
Formula
C20H16N6O
Molecular Weight
356.389
Canonical SMILES
Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc2nccn12
    Show/Hide
InChI
InChI=1S/C20H16N6O/c1-12-9-14(27-20-16-10-24-25-17(16)5-6-22-20)3-4-15(12)19-13(2)23-11-18-21-7-8-26(18)19/h3-11H,1-2H3,(H,24,25)
    Show/Hide
InChIKey
FUPXDZFQJAIQME-UHFFFAOYSA-N
Physicochemical Property
logP
4.07674
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
80.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 146025715
ChEMBL ID
CHEMBL4593703
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS