General Information of the Compound
| Compound ID |
CP0300838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8877944, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22F3N3O2
|
||||||||||||||||||
| Molecular Weight |
417.431
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2CN(C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)C(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F3N3O2/c23-22(24,25)16-5-1-3-14(11-16)12-27-9-7-17(8-10-27)28-13-15-4-2-6-18(20(26)29)19(15)21(28)30/h1-6,11,17H,7-10,12-13H2,(H2,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRVLKKDUPMXUNN-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