General Information of the Compound
| Compound ID |
CP0483519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428503, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30FN5O3
|
||||||||||||||||||
| Molecular Weight |
479.556
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FN5O3/c1-30(2)11-4-12-35-23-8-6-19(25(27)29-23)17-5-7-21-20(15-17)24-22(16-28-21)31(3)26(33)32(24)18-9-13-34-14-10-18/h5-8,15-16,18H,4,9-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDSGFLSESAHGIW-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: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR