General Information of the Compound
| Compound ID |
CP0537215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 125
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N4O4S2
|
||||||||||||||||||
| Molecular Weight |
510.641
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N4O4S2/c1-16-24(17(2)29(3)28-16)35(30,31)27-15-21-14-26-25(34-21)32-20-10-12-23-19(13-20)9-11-22(33-23)18-7-5-4-6-8-18/h4-8,10,12-14,22,27H,9,11,15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRQGXYTUMWTZNV-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