General Information of the Compound
| Compound ID |
CP0560551
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10668051, Compound Example 76
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16F3N5OS
|
||||||||||||||||||
| Molecular Weight |
407.421
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncsc1NC(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16F3N5OS/c1-10-16(28-9-22-10)24-17(27)23-12-4-6-13(7-5-12)26-14(11-2-3-11)8-15(25-26)18(19,20)21/h4-9,11H,2-3H2,1H3,(H2,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCOKQJDIGRRKGH-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