General Information of the Compound
| Compound ID |
CP0558593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 324
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24F4N6O
|
||||||||||||||||||
| Molecular Weight |
428.434
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(co1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24F4N6O/c1-11-24-14(10-30-11)15-27-16(25-12-2-6-18(20,21)7-3-12)29-17(28-15)26-13-4-8-19(22,23)9-5-13/h10,12-13H,2-9H2,1H3,(H2,25,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBXOUHBWHZCWAK-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