General Information of the Compound
| Compound ID |
CP0565672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 105
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24F4N2O
|
||||||||||||||||||
| Molecular Weight |
384.417
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H](NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24F4N2O/c1-12(2)18(19(3,4)27)25-11-17-15(21)9-10-16(26-17)13-5-7-14(8-6-13)20(22,23)24/h5-10,12,18,25,27H,11H2,1-4H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBKGJRHBUKGAED-GOSISDBHSA-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