General Information of the Compound
| Compound ID |
CP0556074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614213, 19.56
Show/Hide
|
||||||||||||||||||
| Formula |
C22H25ClF3N3O2
|
||||||||||||||||||
| Molecular Weight |
455.908
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(C)cc1NC[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClF3N3O2/c1-13-9-19(21(31-2)28-11-13)27-12-14-3-6-16(7-4-14)29-20(30)17-10-15(22(24,25)26)5-8-18(17)23/h5,8-11,14,16,27H,3-4,6-7,12H2,1-2H3,(H,29,30)/t14-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJOMQZMREXSGEO-KOMQPUFPSA-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