General Information of the Compound
| Compound ID |
CP0554658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249085, I(r)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15Cl2F2NO3
|
||||||||||||||||||
| Molecular Weight |
438.257
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COc1ccc(Cl)c(NCc2cc(ccc2F)-c2cccc(F)c2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15Cl2F2NO3/c22-16-5-7-18(29-11-19(27)28)20(23)21(16)26-10-14-8-13(4-6-17(14)25)12-2-1-3-15(24)9-12/h1-9,26H,10-11H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPQKUWFLQHVMFG-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