General Information of the Compound
| Compound ID |
CP0958072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 240
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F6N5O3
|
||||||||||||||||||
| Molecular Weight |
513.398
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F6N5O3/c1-35-14-6-2-12(3-7-14)16-10-20(22(26,27)28,29-19(34)17(16)18-30-32-33-31-18)13-4-8-15(9-5-13)36-11-21(23,24)25/h2-9H,10-11H2,1H3,(H,29,34)(H,30,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHQLTEBIHSKTAU-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