General Information of the Compound
| Compound ID |
CP0476982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 9.6
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19ClF3N3O3
|
||||||||||||||||||
| Molecular Weight |
465.859
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19ClF3N3O3/c1-12-17(10-20(30)31)13(2)29(28-12)11-14-3-5-15(6-4-14)21(32)27-16-7-8-19(23)18(9-16)22(24,25)26/h3-9H,10-11H2,1-2H3,(H,27,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWLVDLWZHGISRZ-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