General Information of the Compound
| Compound ID |
CP0557611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 71
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
460.559
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cnn1C)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O3S/c1-16-21(15-28-29(16)2)24(30)26-13-20-14-27-25(33-20)31-19-9-11-23-18(12-19)8-10-22(32-23)17-6-4-3-5-7-17/h3-7,9,11-12,14-15,22H,8,10,13H2,1-2H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKYGWQKSTUSVDY-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