General Information of the Compound
| Compound ID |
CP0495285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.259
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N3O2
|
||||||||||||||||||
| Molecular Weight |
407.558
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccccc3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N3O2/c1-25(2,3)27-24(30)21-12-14-28(15-13-21)18-20-10-7-11-22(16-20)26-23(29)17-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3,(H,26,29)(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEPWXJMVKHXIHS-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