General Information of the Compound
| Compound ID |
CP0541045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 282
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26F4N6
|
||||||||||||||||||
| Molecular Weight |
438.473
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26F4N6/c1-13-3-2-4-16(26-13)17-29-18(27-14-5-9-20(22,23)10-6-14)31-19(30-17)28-15-7-11-21(24,25)12-8-15/h2-4,14-15H,5-12H2,1H3,(H2,27,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBYIINHMDQHRAL-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