General Information of the Compound
| Compound ID |
CP0861326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428503, 35
Show/Hide
|
||||||||||||||||||
| Formula |
C27H31N5O3
|
||||||||||||||||||
| Molecular Weight |
473.577
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1C[C@@H](n2c(=O)[nH]c3cnc4ccc(-c5ccc(OCCCN6CCCC6)nc5)cc4c32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N5O3/c1-34-21-14-20(15-21)32-26-22-13-18(5-7-23(22)28-17-24(26)30-27(32)33)19-6-8-25(29-16-19)35-12-4-11-31-9-2-3-10-31/h5-8,13,16-17,20-21H,2-4,9-12,14-15H2,1H3,(H,30,33)/t20-,21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPVXIIKFNBQKCN-OYRHEFFESA-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 | |||||||||||||||||||
| 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