General Information of the Compound
| Compound ID |
CP0524266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772283, 35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26N4O2
|
||||||||||||||||||
| Molecular Weight |
450.542
|
||||||||||||||||||
| Canonical SMILES |
NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3ccncc3OCn2c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N4O2/c29-27(15-28(33,16-27)21-10-11-21)20-8-6-18(7-9-20)24-25(19-4-2-1-3-5-19)32-17-34-23-14-30-13-12-22(23)26(32)31-24/h1-9,12-14,21,33H,10-11,15-17,29H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFLUPGZLSMWBLD-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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase