General Information of the Compound
| Compound ID |
CP0506878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 327
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N3O4S
|
||||||||||||||||||
| Molecular Weight |
477.586
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C1CCc2cc(Oc3ncc(CNC(=O)CN4CCCC4=O)s3)ccc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N3O4S/c1-17-5-2-3-6-21(17)23-10-8-18-13-19(9-11-22(18)33-23)32-26-28-15-20(34-26)14-27-24(30)16-29-12-4-7-25(29)31/h2-3,5-6,9,11,13,15,23H,4,7-8,10,12,14,16H2,1H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAFJWFVUPVMRNG-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