General Information of the Compound
| Compound ID |
CP0530398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 133
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21FN4OS
|
||||||||||||||||||
| Molecular Weight |
384.48
|
||||||||||||||||||
| Canonical SMILES |
Cc1csc(n1)[C@@H]1CC[C@H](C1)NC(=O)Nc1c(F)ccc2cnc(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21FN4OS/c1-11-7-16-14(9-22-11)4-6-17(21)18(16)25-20(26)24-15-5-3-13(8-15)19-23-12(2)10-27-19/h4,6-7,9-10,13,15H,3,5,8H2,1-2H3,(H2,24,25,26)/t13-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJNMEDAWCQXQQL-UKRRQHHQSA-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