General Information of the Compound
| Compound ID |
CP0536247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802663, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14F2N4O2
|
||||||||||||||||||
| Molecular Weight |
368.343
|
||||||||||||||||||
| Canonical SMILES |
COCc1c(cnn1-c1ccccc1)-c1nc(no1)-c1cc(F)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14F2N4O2/c1-26-11-17-15(10-22-25(17)13-5-3-2-4-6-13)19-23-18(24-27-19)14-9-12(20)7-8-16(14)21/h2-10H,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICIRYEUNCNGRQW-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