General Information of the Compound
| Compound ID |
CP0484011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F5N4O3S
|
||||||||||||||||||
| Molecular Weight |
504.481
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2cnc(cn2)C(F)(F)F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F5N4O3S/c22-15-3-1-2-14(19(15)23)16-12-29(18-11-27-17(10-28-18)21(24,25)26)6-7-30(16)20(31)13-4-8-34(32,33)9-5-13/h1-3,10-11,13,16H,4-9,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDZNVXNPFICXCW-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