General Information of the Compound
| Compound ID |
CP0013202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxyacetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25N5O3
|
||||||||||||||||||
| Molecular Weight |
419.485
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)Nc1cn2nc(ccc2n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N5O3/c1-13-8-16(9-17-10-27(23(30)22(13)17)14(2)15-4-5-15)18-6-7-20-24-19(11-28(20)26-18)25-21(29)12-31-3/h6-9,11,14-15H,4-5,10,12H2,1-3H3,(H,25,29)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRFMOESUBIIQQY-AWEZNQCLSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform