General Information of the Compound
| Compound ID |
CP0573352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9139578, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15FN6O5S
|
||||||||||||||||||
| Molecular Weight |
482.453
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NC(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(cc2o1)-c1ccc(F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15FN6O5S/c1-9(29)24-17(20-28-27-16(33-20)7-14-18(30)26-21(31)34-14)19-25-12-4-2-10(6-13(12)32-19)11-3-5-15(22)23-8-11/h2-6,8,14,17H,7H2,1H3,(H,24,29)(H,26,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQSRTSAQLLUAAH-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