General Information of the Compound
| Compound ID |
CP0674357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-(5-amino-6-(1H-benzo[d][1,2,3]triazol-1-yl)pyrazin-2-yl)-2H-1,2,3-triazol-2-yl)piperidin-1-yl)-2-(dimethylamino)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N11O
|
||||||||||||||||||
| Molecular Weight |
447.507
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC(=O)N1CCC(n2ncc(-c3cnc(N)c(-n4nnc5ccccc54)n3)n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N11O/c1-29(2)13-19(33)30-9-7-14(8-10-30)32-24-12-17(27-32)16-11-23-20(22)21(25-16)31-18-6-4-3-5-15(18)26-28-31/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDDPJDLHZKCERB-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform