General Information of the Compound
| Compound ID |
CP0569713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10292981, Example 121
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F2N4O3
|
||||||||||||||||||
| Molecular Weight |
436.418
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1-c1cnc(cn1)C(=O)Nc1c(F)cccc1F)C1=NOC(C)(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F2N4O3/c1-12-7-8-13(19-21(30)23(2,3)32-29-19)9-14(12)17-10-27-18(11-26-17)22(31)28-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDVVIMMGQHFHBT-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