General Information of the Compound
| Compound ID |
CP0557332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952008, 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN4O3S
|
||||||||||||||||||
| Molecular Weight |
440.5
|
||||||||||||||||||
| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(CO)c(c1)-c1ccc(cc1F)S(=O)(=O)CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN4O3S/c1-3-27-13-24-21-19(11-25-26-22(21)27)14-5-6-15(12-28)18(9-14)17-8-7-16(10-20(17)23)31(29,30)4-2/h5-11,13,28H,3-4,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDLQPJDCMZXIBY-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