General Information of the Compound
| Compound ID |
CP0556894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163015, 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H8ClFN4
|
||||||||||||||||||
| Molecular Weight |
262.675
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cl)cc1Nc1n[nH]c2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H8ClFN4/c13-7-3-4-8(14)10(6-7)16-12-11-9(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYSPWDIBPAFMAF-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