General Information of the Compound
| Compound ID |
CP0565035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
460.559
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C(=O)NCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)n(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O3S/c1-16-12-21(29(2)28-16)24(30)26-14-20-15-27-25(33-20)31-19-9-11-23-18(13-19)8-10-22(32-23)17-6-4-3-5-7-17/h3-7,9,11-13,15,22H,8,10,14H2,1-2H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVBQRCMJKQILJA-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