General Information of the Compound
| Compound ID |
CP0499842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 207
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O4S
|
||||||||||||||||||
| Molecular Weight |
464.587
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1CCCC[C@@H]1CNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O4S/c29-21-9-5-4-8-19(21)15-27-25(30)24-16-28-26(33-24)31-20-11-13-23-18(14-20)10-12-22(32-23)17-6-2-1-3-7-17/h1-3,6-7,11,13-14,16,19,21-22,29H,4-5,8-10,12,15H2,(H,27,30)/t19-,21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQEZQPVIUGEJPG-FCEUIQTBSA-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