General Information of the Compound
| Compound ID |
CP0576440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249085, I(au)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F2NO3
|
||||||||||||||||||
| Molecular Weight |
397.421
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc(CNc2c(F)ccc(OCC(O)=O)c2F)c1C)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F2NO3/c1-14-10-17(16-6-4-3-5-7-16)11-18(15(14)2)12-26-23-19(24)8-9-20(22(23)25)29-13-21(27)28/h3-11,26H,12-13H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNLBKZHAZYJLNK-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