General Information of the Compound
| Compound ID |
CP0560980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9139578, 5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18FN7O4S2
|
||||||||||||||||||
| Molecular Weight |
491.53
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NC(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18FN7O4S2/c1-2-15(28)25-17(18-27-26-16(31-18)9-23-33(21,29)30)19-24-12-5-3-10(7-13(12)32-19)11-4-6-14(20)22-8-11/h3-8,17,23H,2,9H2,1H3,(H,25,28)(H2,21,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGJYNLLWZLYSJS-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