General Information of the Compound
| Compound ID |
CP0472807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9139578, Reference 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15FN6O3S2
|
||||||||||||||||||
| Molecular Weight |
434.478
|
||||||||||||||||||
| Canonical SMILES |
CC(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15FN6O3S2/c1-9(16-24-23-15(27-16)8-21-29(19,25)26)17-22-12-4-2-10(6-13(12)28-17)11-3-5-14(18)20-7-11/h2-7,9,21H,8H2,1H3,(H2,19,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJGHBYXPLPQOJC-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