General Information of the Compound
| Compound ID |
CP0518275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 77
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N3O4S
|
||||||||||||||||||
| Molecular Weight |
475.57
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(C)c1CC(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N3O4S/c1-16-22(17(2)33-29-16)13-25(30)27-14-21-15-28-26(34-21)31-20-9-11-24-19(12-20)8-10-23(32-24)18-6-4-3-5-7-18/h3-7,9,11-12,15,23H,8,10,13-14H2,1-2H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLIRHMAPTKFPOQ-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