General Information of the Compound
| Compound ID |
CP0415251
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 157
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22N4O2S
|
||||||||||||||||||
| Molecular Weight |
454.555
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(CNCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22N4O2S/c27-13-21-8-6-18(15-29-21)14-28-16-23-17-30-26(33-23)31-22-9-11-25-20(12-22)7-10-24(32-25)19-4-2-1-3-5-19/h1-6,8-9,11-12,15,17,24,28H,7,10,14,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAFIZHQKVZGLEL-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