General Information of the Compound
| Compound ID |
CP0507486
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.136
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F6N3O2
|
||||||||||||||||||
| Molecular Weight |
555.563
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F6N3O2/c29-27(30,31)21-14-20(15-22(16-21)28(32,33)34)26(39)36-24-8-4-5-18(13-24)17-37-11-9-19(10-12-37)25(38)35-23-6-2-1-3-7-23/h4-5,8,13-16,19,23H,1-3,6-7,9-12,17H2,(H,35,38)(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKYADTDQZXXZDL-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