General Information of the Compound
| Compound ID |
CP0574002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.039
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N4O2
|
||||||||||||||||||
| Molecular Weight |
420.557
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccccn3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N4O2/c30-24(27-21-8-2-1-3-9-21)20-12-15-29(16-13-20)18-19-7-6-10-22(17-19)28-25(31)23-11-4-5-14-26-23/h4-7,10-11,14,17,20-21H,1-3,8-9,12-13,15-16,18H2,(H,27,30)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGGCLTMRGUAGOK-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