General Information of the Compound
| Compound ID |
CP0546827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 9.20
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26F3N3O3
|
||||||||||||||||||
| Molecular Weight |
473.495
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)C(=O)NCc2ccc(cc2)C(F)(F)F)c(CC)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F3N3O3/c1-3-21-20(13-23(32)33)22(4-2)31(30-21)15-17-5-9-18(10-6-17)24(34)29-14-16-7-11-19(12-8-16)25(26,27)28/h5-12H,3-4,13-15H2,1-2H3,(H,29,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXISDKYJXZELKZ-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