General Information of the Compound
Compound ID
CP0231837
Compound Name
N-[2-[[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
    Show/Hide
Structure
Formula
C20H25N5O3
Molecular Weight
383.452
Canonical SMILES
COc1ccc(cc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(C)nn12
    Show/Hide
InChI
InChI=1S/C20H25N5O3/c1-12-10-16(22-9-8-21-14(3)26)20-23-13(2)19(25(20)24-12)15-6-7-17(27-4)18(11-15)28-5/h6-7,10-11,22H,8-9H2,1-5H3,(H,21,26)
    Show/Hide
InChIKey
ZYZKGZFKVOJKSO-UHFFFAOYSA-N
Physicochemical Property
logP
2.57834
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
89.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 156021093
ChEMBL ID
CHEMBL4646734
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: PT06318, Sphingomyelin phosphodiesterase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS