General Information of the Compound
| Compound ID |
CP0486853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.273
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32FN3O2
|
||||||||||||||||||
| Molecular Weight |
425.548
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32FN3O2/c1-18(2)16-28(3)25(31)21-11-13-29(14-12-21)17-19-5-4-6-23(15-19)27-24(30)20-7-9-22(26)10-8-20/h4-10,15,18,21H,11-14,16-17H2,1-3H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPQKEIRXATXNCR-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