General Information of the Compound
| Compound ID |
CP0576439
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249085, I(af)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23F2NO4
|
||||||||||||||||||
| Molecular Weight |
427.447
|
||||||||||||||||||
| Canonical SMILES |
COc1c(C)cc(cc1CNc1c(F)ccc(OCC(O)=O)c1C)-c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F2NO4/c1-14-9-17(16-5-4-6-19(25)11-16)10-18(24(14)30-3)12-27-23-15(2)21(8-7-20(23)26)31-13-22(28)29/h4-11,27H,12-13H2,1-3H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZSKKKSRSABDTB-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