General Information of the Compound
| Compound ID |
CP0258575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8673906, 3.09
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClN3O4
|
||||||||||||||||||
| Molecular Weight |
455.942
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1cccc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26ClN3O4/c1-15(26-18-6-4-5-17(25)13-18)19-11-16(24(30)27(2)3)12-20-21(29)14-22(32-23(19)20)28-7-9-31-10-8-28/h4-6,11-15,26H,7-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFKIDVSIVXEAHH-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