General Information of the Compound
| Compound ID |
CP0545797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249085, I(e)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F3NO3
|
||||||||||||||||||
| Molecular Weight |
387.357
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COc1ccc(F)c(NCc2cccc(c2)-c2cccc(F)c2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F3NO3/c22-16-6-2-5-15(10-16)14-4-1-3-13(9-14)11-25-21-17(23)7-8-18(20(21)24)28-12-19(26)27/h1-10,25H,11-12H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKDPGJBIUWVIAF-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