General Information of the Compound
| Compound ID |
CP0519158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8889668, I72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN4O4S
|
||||||||||||||||||
| Molecular Weight |
460.531
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(NS(C)(=O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN4O4S/c1-14-6-4-5-11-27(14)19-9-7-15(12-18(19)26-32(3,28)29)22-24-21(25-31-22)17-13-16(23)8-10-20(17)30-2/h7-10,12-14,26H,4-6,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJLAYMHQBFEBSU-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