General Information of the Compound
| Compound ID |
CP0562471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993557, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19F4N3O3
|
||||||||||||||||||
| Molecular Weight |
413.371
|
||||||||||||||||||
| Canonical SMILES |
Oc1c(ccn(CC(F)(F)F)c1=O)C(=O)NC1CCN(CC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19F4N3O3/c20-12-1-3-14(4-2-12)25-8-5-13(6-9-25)24-17(28)15-7-10-26(11-19(21,22)23)18(29)16(15)27/h1-4,7,10,13,27H,5-6,8-9,11H2,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOQBIGXCMYBDET-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