General Information of the Compound
| Compound ID |
CP0517952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618299, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27F3N4O2
|
||||||||||||||||||
| Molecular Weight |
508.544
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CC3CCCCN3Cc2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27F3N4O2/c1-33-24-13-20(6-7-22(24)23-16-34-10-3-2-4-19(34)12-25(23)33)35-11-9-21(14-27(35)36)37-17-18-5-8-26(32-15-18)28(29,30)31/h5-9,11,13-15,19H,2-4,10,12,16-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWPGBIBRTXZJOU-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