General Information of the Compound
| Compound ID |
CP0562646
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9035059, 14-21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27F2N3O4S
|
||||||||||||||||||
| Molecular Weight |
515.582
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)cc(F)c1NS(=O)(=O)c1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27F2N3O4S/c1-26(2,3)18-6-8-20(9-7-18)29-25(32)31-14-16-5-10-21(11-17(16)15-31)36(33,34)30-24-22(28)12-19(27)13-23(24)35-4/h5-13,30H,14-15H2,1-4H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXAVEHMRBFQNEV-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