General Information of the Compound
| Compound ID |
CP0512639
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 109
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19F4N3O
|
||||||||||||||||||
| Molecular Weight |
357.351
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](CO)NCc1ccc(F)c(n1)-c1ccc(nc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19F4N3O/c1-10(2)14(9-25)22-8-12-4-5-13(18)16(24-12)11-3-6-15(23-7-11)17(19,20)21/h3-7,10,14,22,25H,8-9H2,1-2H3/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGFOFDKSNBPYCS-AWEZNQCLSA-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