General Information of the Compound
| Compound ID |
CP0559265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 20
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N8O2
|
||||||||||||||||||
| Molecular Weight |
536.518
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccc(n3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N8O2/c27-26(28,29)18-9-10-32-25(33-18)35-24(39)15-3-1-14(2-4-15)20-21-22(30)31-11-12-36(21)23(34-20)16-5-6-17-7-8-19(38)37(17)13-16/h1-4,9-12,16-17H,5-8,13H2,(H2,30,31)(H,32,33,35,39)/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFGPCWBZVXIFTH-SJORKVTESA-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