General Information of the Compound
| Compound ID |
CP0142095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501467, Example 43
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H9FN4O
|
||||||||||||||||||
| Molecular Weight |
244.229
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc2[nH]c3CNCc4n[nH]c(=O)c(c1)c2c34
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H9FN4O/c13-5-1-6-10-7(2-5)15-8-3-14-4-9(11(8)10)16-17-12(6)18/h1-2,14-15H,3-4H2,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOEFAUKYMBKXPU-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