General Information of the Compound
| Compound ID |
CP0519885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163011, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15ClF5N7O2
|
||||||||||||||||||
| Molecular Weight |
479.797
|
||||||||||||||||||
| Canonical SMILES |
CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15ClF5N7O2/c1-15(17(22,23)5-32-14(25)30-15)9-6(19)3-4-7(26-9)27-13(31)8-12(24)29-10(11(18)28-8)16(2,20)21/h3-4H,5H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,27,31)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
INTWBADHVOGJEU-OAHLLOKOSA-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