General Information of the Compound
| Compound ID |
CP0515024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8796328, 10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F6N3O4S
|
||||||||||||||||||
| Molecular Weight |
525.471
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3cc(ccc23)C(F)(F)F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F6N3O4S/c1-35(32,33)30-16-5-2-12(6-15(16)24)9-28-19(31)29-17-8-20(10-22,11-23)34-18-7-13(21(25,26)27)3-4-14(17)18/h2-7,17,30H,8-11H2,1H3,(H2,28,29,31)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWPKHRMHEYTCQI-QGZVFWFLSA-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