General Information of the Compound
| Compound ID |
CP0326832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9242977, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24F3N7O2S
|
||||||||||||||||||
| Molecular Weight |
591.619
|
||||||||||||||||||
| Canonical SMILES |
CCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(cnc3-c3ccc(C)cc3)C(F)(F)F)cn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24F3N7O2S/c1-3-33-28-37-16-24(42-28)18-8-10-22(11-9-18)41-27-35-14-21(15-36-27)38-26(40)39-23-12-20(29(30,31)32)13-34-25(23)19-6-4-17(2)5-7-19/h4-16H,3H2,1-2H3,(H,33,37)(H2,38,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFEAYYJBORUWKT-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