General Information of the Compound
| Compound ID |
CP0493301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 38
Show/Hide
|
||||||||||||||||||
| Formula |
C25H32F3N5O2
|
||||||||||||||||||
| Molecular Weight |
491.558
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCOCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32F3N5O2/c26-25(27,28)18-3-6-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-4-1-16(2-5-20)17-7-9-35-10-8-17/h3,6,11,15-17,19-20H,1-2,4-5,7-10,12-14H2,(H,32,34)(H,29,30,31)/t16-,20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFQOBRBWVJSVLG-MOBUCQHHSA-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