General Information of the Compound
| Compound ID |
CP0565673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 108
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21F4N3O
|
||||||||||||||||||
| Molecular Weight |
371.378
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H](NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F)C(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21F4N3O/c1-10(2)17(11(3)26)24-9-15-13(19)5-6-14(25-15)12-4-7-16(23-8-12)18(20,21)22/h4-8,10-11,17,24,26H,9H2,1-3H3/t11?,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFEZLSGYGJTQRR-DFDFJRDNSA-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