General Information of the Compound
| Compound ID |
CP0468810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067935, 64
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F6N3O2S
|
||||||||||||||||||
| Molecular Weight |
493.473
|
||||||||||||||||||
| Canonical SMILES |
CCc1c(nc2c(cccn12)C(F)(F)F)N(CCCCC(F)(F)F)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F6N3O2S/c1-2-17-19(28-18-16(21(25,26)27)11-8-13-29(17)18)30(14-7-6-12-20(22,23)24)33(31,32)15-9-4-3-5-10-15/h3-5,8-11,13H,2,6-7,12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLTQRERDSVKRPE-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