General Information of the Compound
| Compound ID |
CP0473835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(6-methoxy-2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N7O3
|
||||||||||||||||||
| Molecular Weight |
411.466
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nc(C)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N7O3/c1-14-21-16-4-3-15(28-2)13-17(16)27(14)20-23-18(25-5-9-29-10-6-25)22-19(24-20)26-7-11-30-12-8-26/h3-4,13H,5-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHSSLGBFNUZSPO-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
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform